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構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

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Structure paper

タイトル	Crystal Structure of a human phosphodiesterase 10 complex
ジャーナル・号・ページ	To be published
掲載日	2022年1月21日 (構造データの登録日)
著者	Gobbi, L. / Benz, J. / Schlatter, D. / Rudolph, M.G.
リンク	PubMedで検索
手法	X線回折
解像度	1.75 - 2.82 Å
構造データ	PDB-5sfe: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(nc1nc(cn1cc2)c3cc(ccc3)F)NC(c4c(cnn4C)C(N(C)C)=O)=O, micromolar IC50=0.011191 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-5sfz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccnn1c2ccccc2)NC(=O)NCCc3c(oc(n3)c4ccccc4)C, micromolar IC50=0.843056 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-5sg0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N3(c1ccnn1c2ccccc2)CCN(C3=O)CCc4c(oc(n4)c5ccccc5)C, micromolar IC50=0.809009 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å PDB-5sg1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c1ccc5c(n1nc2CCc3nc(nn3C)N4CCCC4)cccc5, micromolar IC50=0.029195 手法: X-RAY DIFFRACTION / 解像度: 2.41 Å PDB-5sg2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(N)n(c3c1c2c(nccc2)cc3)C, micromolar IC50=32.68161 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5sg3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccc(cc1)[C@@H](C(N\\N=C\\c2cc(c(Br)c(c2)OC)OC)=O)OCC)N3CCOCC3, micromolar IC50=0.0063575 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-5sg4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N(C(=O)c1c(cnn1C)C(=O)N)c3ccc2[nH]c(nc2c3)c4cccc(c4)Cl, micromolar IC50=0.009485 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5sg5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1(c4c(N=C(N1)CN(C(Nc2ccc(cc2)C)=O)Cc3ccc(cc3)OC)cccc4)=O, micromolar IC50=0.032264 手法: X-RAY DIFFRACTION / 解像度: 2.17 Å PDB-5sg6: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N4(c1nn(c(n1)CCc3nn2c(cnc(C)c2n3)C)C)CCCC4, micromolar IC50=0.0040613 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-5sg7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1=C(C(=O)C=CN1c2cccc(c2)C(F)(F)F)c3ccnn3c4c(cccc4)F, micromolar IC50=0.07 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5sg8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cnc(nc1OCC)N)OCCCC, micromolar IC50=5.076956 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-5sg9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nc(n1)\\C=C\\c3nc2ccccc2cc3)C)N4CCCC4, micromolar IC50=0.536555 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-5sgb: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n3ncc(Oc1ccc(c2c1cccc2)Cl)s3, micromolar IC50=>10 手法: X-RAY DIFFRACTION / 解像度: 2.39 Å PDB-5sgc: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n3cn1c(nc(n1)N2CCOCC2)cc3NC(c4c(cnn4C)C(N5CCC5)=O)=O, micromolar IC50=0.004831 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å PDB-5sgd: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(c(c(COC)cn1)C(=O)Nc3cc2nc(nn2cc3)c4ccccc4)C, micromolar IC50=0.01444 手法: X-RAY DIFFRACTION / 解像度: 2.54 Å PDB-5sge: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(cccc1)NC(n3c2ncc3)=O, micromolar IC50=7.776412 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5sgf: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(C(OCC)=O)cnn1C)C(NCCC)=O, micromolar IC50=6.982255 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5sgg: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12cc4c(cc1[nH]c(n2)SCc3c(C)c(c(cn3)C)Cl)OCC4, micromolar IC50=0.359161 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å PDB-5sgh: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(nc2c1cnn2C)OCc3nc(cn3C)c4ccccc4)N5CCOCC5, micromolar IC50=0.010108 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-5sgi: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(nc1[nH]cnc1c2Oc3cc(ccc3)C)N5CCN(c4ncccc4)CC5, micromolar IC50=0.035 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-5sgj: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4c(nc(C(Nc1c(cc2c(c1)nc([nH]2)c3ccccc3)C(NC)=O)=O)c(c4)C)C, micromolar IC50=0.007516 手法: X-RAY DIFFRACTION / 解像度: 2.66 Å PDB-5sgk: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [C@@H]2(Cc1nc(cn1CC2)c3ccccc3C)NC(=O)c5c(C(=O)N4CCC4)cnn5C, micromolar IC50=0.007851 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-5sgl: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccc(cc1)[C@H](OCC)C(=O)N\\N=C\\c2cc(c(Br)c(c2)OC)OC)n3nccc3, micromolar IC50=0.001626 手法: X-RAY DIFFRACTION / 解像度: 2.28 Å PDB-5sgm: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(Nc2cc1nc(cn1cc2)c3ccc(cc3)F)=O)n(nc4)C)C(=O)N(C)C, micromolar IC50=0.000250 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5sgn: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(nc(nc1CCc3nn2c(nc(c2C)C)c(c3)C(F)(F)F)N4CCCC4)C, micromolar IC50=0.164550 手法: X-RAY DIFFRACTION / 解像度: 2.07 Å PDB-5sgo: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1cnc(c2c1scc2c3ccc(cc3)F)OCCCOc4cc(ccc4)NC(=O)C, micromolar IC50=0.012 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5sgp: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(Nc2cc1nc(cn1cc2)c3ccccc3)=O)n(nc4)C)C(=O)N(C)CCOC, micromolar IC50=0.022639 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5sgq: Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-5sgr: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1cc(ccc1)c2cn(c(n2)COc4nc3cc(ccc3nc4Cl)C)C, micromolar IC50=0.005058 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-5sgs: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1nc(ccc1)N4C[C@@H](CCc3nc2ccccc2nc3C)CC4, micromolar IC50=0.102832 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-5sgt: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N4(CCC1=Nc3c(C(N1c2ccc(cc2)OC)=O)cccc3)C(=O)c5c(C4=O)cccc5, micromolar IC50=0.123689 手法: X-RAY DIFFRACTION / 解像度: 2.26 Å PDB-5sgu: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(nc2c(c1)nc(C)c3c(nc(n23)CCC)C)OC, micromolar IC50=0.01038217 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å PDB-5sgv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1(=NN(C=CC1=O)Cc2ccccc2)c3ccnn3c4ccccc4, micromolar IC50=0.093977 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5sgw: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(=NN(c1ccccc1)CCC2=O)c3ccnn3c4ccccc4, micromolar IC50=0.256978 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5sgx: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N4(c1nn(c(n1)CCc3nn2c(ncc(C)c2n3)C)C)CCC[C@@H]4C(F)(F)F, micromolar IC50=0.027384 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å PDB-5sgy: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12nc(cn1ccc(n2)NC(c3c(cnn3CC(C)C)Cl)=O)c4ccccc4, micromolar IC50=0.018785 手法: X-RAY DIFFRACTION / 解像度: 2.36 Å PDB-5sgz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(OC)nc2c(c1)NC(c3c(nc(n23)c4ccccc4Cl)C)=O, micromolar IC50=0.006584 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5sh0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(N(C)c1cc(ccc1N2C)NC(CN([S](=O)(C)=O)c4c3ccccc3ccc4)=O)=O, micromolar IC50=1.2831377 手法: X-RAY DIFFRACTION / 解像度: 2.29 Å PDB-5sh1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc4c(c1OCCc2c(C)oc(n2)c3ccccc3)nccc4, micromolar IC50=0.416097 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5sh2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(c1c(cnn1C)C(N2CCC2)=O)(=O)Nc3cc4c(cc3)sc(n4)N5CCOCC5, micromolar IC50=0.001856 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å PDB-5sh3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nn2c1nc(c2C)C)CCc3nc(nn3C)N4CCCC4)[S](C)(=O)=O, micromolar IC50=0.041332 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-5sh4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc2c(c1)OCO2)nc([nH]3)SCc4nc(c(c(c4C)C)OC)C, micromolar IC50=0.631687 手法: X-RAY DIFFRACTION / 解像度: 2.22 Å PDB-5sh5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12ccccc1c(c(c(n2)N)C#N)OC3CCCCC3, micromolar IC50=0.465258 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5sh6: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(cccc1)nc(n2C)CCN4CCOc3ccccc3C4=O, micromolar IC50=2.844764 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-5sh7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH O=C(NC1COC1)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C2CC2)c[nH]c1=O, micromolar IC50=0.012286 手法: X-RAY DIFFRACTION / 解像度: 2.66 Å PDB-5sh8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(cc(n1c2ccccc2)NC(c3c(ccc(n3)C)Nc4cncnc4)=O)C, micromolar IC50=0.007593 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5sh9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N4(c1nn(c(n1)CCc3nn2c(cnc(C)c2n3)C)C)C[C@H](F)CC4, micromolar IC50=0.010653 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å PDB-5sha: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(c1nc(nn1c(c2)C)CCc3nc(nn3C)N4C[C@@H](C(F)F)CC4)C, micromolar IC50=0.048101 手法: X-RAY DIFFRACTION / 解像度: 2.24 Å PDB-5shb: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(=NN(c1ccncc1)C=CC2=O)c3ccnn3c4cccc(c4)Br, micromolar IC50=0.017329 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5shc: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ncncc1NC(C4=CC=CN(CCc2c(oc(n2)c3ccccc3)C)C4=O)=O, micromolar IC50=1.1253625 手法: X-RAY DIFFRACTION / 解像度: 2.33 Å PDB-5shd: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C2CC2)Nc3cncnc3)C(Nc4c(ccnc4)C(=O)NC)=O, micromolar IC50=0.01369 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-5she: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(c(nc2c1cc(cc2)N)C)C, micromolar IC50=15.581033 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å PDB-5shf: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(C)nc(c(c1)C)C(=O)Nc4cn2c(cc(n2)c3ccccc3)cc4, micromolar IC50=0.052936 手法: X-RAY DIFFRACTION / 解像度: 2.28 Å PDB-5shg: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc2c(cc1)nc(c3c(nc(n23)c4ccccc4Cl)C)N)OC, micromolar IC50=0.001022 手法: X-RAY DIFFRACTION / 解像度: 2.12 Å PDB-5shh: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)SCc3ncc(c(c3C)OC)C)ncs4, micromolar IC50=0.062527 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5shi: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccc(c2nc(c(n12)C)C)CCc3nc(cn3C)c4ccccc4)C, micromolar IC50=0.954878 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5shj: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(N1CCC1)(=O)c2c(n(C)nc2)C(Nc3cccc(c3)C(Nc4ccccc4)=O)=O, micromolar IC50=0.016507 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5shk: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ncc(c2cccnc12)c3cccnc3)Nc4cccc(n4)C, micromolar IC50=0.911105 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5shl: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nn2c1nc(c2C)C)Cl)N3CCCC3, micromolar IC50=1.188091 手法: X-RAY DIFFRACTION / 解像度: 2.35 Å PDB-5shm: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [C@@H]1(CN(CC1)c2ccc(Cl)cn2)NC(c3c(ncc(n3)C4CC4)OC)=O, micromolar IC50=0.086748 手法: X-RAY DIFFRACTION / 解像度: 2.26 Å PDB-5shn: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(cnn1C)C(NCc2ncco2)=O)C(Nc4nc3nc(cn3cc4)c5ccccc5)=O, micromolar IC50=0.016936 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-5sho: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(NC1CC1)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000960 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5shp: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(ccc2c1nccc2)[nH]c(n3)SCc4ncc(c(c4C)OC)C, micromolar IC50=0.046043 手法: X-RAY DIFFRACTION / 解像度: 2.18 Å PDB-5shq: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(ncnc1[nH]cc2)N3CCCC3, micromolar IC50=>10 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å PDB-5shr: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(c(nc(n1)c2ccccc2)N(C)Cc4nn3c(cnc(c3n4)C)C)C, micromolar IC50=1.47052 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-5shs: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c34c(n(Cc1cccc2c1cccc2)nn3)ncnc4N5CCCCC5, micromolar IC50=0.183 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5sht: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(n1nc(nc1c(c2C)Cl)CCc3nc(nn3C)N4CCCC4)C, micromolar IC50=0.00941 手法: X-RAY DIFFRACTION / 解像度: 2.27 Å PDB-5shu: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc2c(c1)CCN2)[nH]c(n3)SCc4ncc(c(c4C)OC)C, micromolar IC50=0.2659405 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-5shv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(F)cccc1N2CCC(=O)CC2, micromolar IC50=117.769376 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5shw: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cc1nc(nn1cc2)c3ccccc3)CO, micromolar IC50=1.751269 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å PDB-5shx: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc2c(nc1C)cccc2)N3CCCC3, micromolar IC50=9.069546 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-5shy: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(scc1Nc2ncc(c3ccc(nc23)CO)c4cccnc4)C, micromolar IC50=0.297 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5shz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(=NN(c1ccccc1)C=CC2=O)c3ccnn3c4cccc(c4)C#C, micromolar IC50=0.004957 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-5si0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n4c(n1c(nc(n1)CCc2nn(c(n2)N3CCCC3)C)cc4C)CCc5nn(c(n5)N6CCCC6)C, micromolar IC50=0.047938 手法: X-RAY DIFFRACTION / 解像度: 2.27 Å PDB-5si1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(N1CCOCC1)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000072 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5si2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(ccc1Nc2cncnc2)C3CC3)C(N[C@H]4CN(CC4)c5ccccn5)=O, micromolar IC50=0.007466 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-5si3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(Nc2nc1nc(cn1cc2)c3ccccc3)=O)n(nc4)C)C(N5CC(C5)O)=O, micromolar IC50=0.03203425 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-5si4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3c4c(ccc3)cccc4)c5cc(ccc5)OC(F)(F)F, micromolar IC50=0.002773 手法: X-RAY DIFFRACTION / 解像度: 2.39 Å PDB-5si5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(nc2c(c1)nc(N[S](C)(=O)=O)c3c(nc(n23)CCC)C)OC, micromolar IC50=0.039264 手法: X-RAY DIFFRACTION / 解像度: 2.27 Å PDB-5si6: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(Nc2cc1nc(cn1cc2C#N)c3ccccc3)=O)n(C)nc4)C(=O)N5CCC5, micromolar IC50=0.025368 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5si7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c3c(ccc1C(C)(C)C(NC2=O)=O)nc([nH]3)Cc4ccccc4, micromolar IC50=0.22164 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5si8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(nc1C(=O)Nc3cc2nc(cn2cc3C#N)c4ccccc4)C)C(=O)N5CCOCC5, micromolar IC50=0.060125 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5si9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12nc(cn1ccc(n2)NC(c3c(cnn3C)C(NCCO)=O)=O)c4ccccc4, micromolar IC50=0.054287 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-5sia: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n3c2cc(NC(Nc1cc(ccc1)OC)=O)ccc2nc(c3C)C, micromolar IC50=1.295 手法: X-RAY DIFFRACTION / 解像度: 2.27 Å PDB-5sib: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1cc(nn2c1nc(c2C)C(F)(F)F)CCc3nc(nn3C)N4CCCC4, micromolar IC50=0.012425 手法: X-RAY DIFFRACTION / 解像度: 2.54 Å PDB-5sid: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2c(Cl)c1nc(nn1c(c2Cl)C)CCc4nc3cc(ccc3s4)Cl, micromolar IC50=0.010696 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-5sie: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(c(ccc1O)Cl)[nH]c3c2CN(C3=O)C, micromolar IC50=3.77279 手法: X-RAY DIFFRACTION / 解像度: 2.12 Å PDB-5sif: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3cc(ccc3F)F)c4cc(ccc4)[S](=O)(=O)C, micromolar IC50=0.049318 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5sig: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1(NC(=Nc2c1cccc2)CN(C(=O)Nc3ccccc3)Cc4ccc(OC)cc4)=O, micromolar IC50=0.024784 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-5sih: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(nc1[nH]cnc1c2Sc3cc(ccc3)C)N5CCN(c4ncccc4)CC5, micromolar IC50=0.042 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5sii: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12cc(c(cc1[C@H](C(=NN=C2c3cc(c(cc3)OC)OC)C)CC)OC)OC, micromolar IC50=1.5247104 手法: X-RAY DIFFRACTION / 解像度: 2.18 Å PDB-5sij: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cnc(C)c2nc(nn12)CCc3nc(cn3C)c4ccccc4)C, micromolar IC50=0.00044725 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-5sik: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cnc(nc1)N)OCC2CCCC2, micromolar IC50=310.141421 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5sil: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(Nc2ccc1[nH]c(nc1c2)c3cc(cc(c3)C)C)(=O)c4c(cnn4C)Cl, micromolar IC50=0.245656 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-5sim: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(N1CCCC1C)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000107 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5sin: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c14c(c(nn1c2ncccc2)C)cc(NC(=O)c3ccccc3)s4, micromolar IC50=0.104457 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-5sio: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(N1CCCC1C)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000107 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5sip: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(n(nc1)C)C(=O)Nc3nc2nc(cn2cc3)c4ccccc4)C(N5CCC5)=O, micromolar IC50=0.0027158 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-5siq: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [S](N3CCN(c2nc1ccccc1nc2CC)CC3)(c4ccc(cc4)C)(=O)=O, micromolar IC50=0.226614 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-5sir: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(C)nc(c(c1)C)C(=O)Nc3nc2nc(cn2cc3)c4ccccc4, micromolar IC50=0.028279 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-5sis: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(n(nc1)C)C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)C(=O)N(C)CCNC, micromolar IC50=0.002096 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-5sit: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ncnc(c1)C)Nc2ccc(C)cc2, micromolar IC50=408.404817 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-5siu: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2c(Cl)c1nc(nn1c(c2Cl)C)CCC3=Nc4c(NC3=O)cccc4, micromolar IC50=0.007718 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-5siv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(c2cc1c(nccn1)cc2)(=O)NCc3cccs3, micromolar IC50=>10 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5siw: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N2C=C(c1nc(nn1C2(C)O)CCc3nc(nn3C)N4CCCC4)C(F)(F)F, micromolar IC50=0.44215 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-5six: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nc2cc(nn12)c3c(nc4c(n3)cccc4)C)N5CC[C@H](C5)F)NC6CCOCC6, micromolar IC50=0.007291 手法: X-RAY DIFFRACTION / 解像度: 2.29 Å PDB-5siy: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nc2cc(nn12)c3c(nc4c(n3)cccc4)C)N5C[C@@H](CC5)F)N(C6CCOCC6)C, micromolar IC50=0.0050385 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-5siz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(n[nH]1)c2cccnc2)CCNC(c3c(ncc(n3)C4CC4)OC)=O, micromolar IC50=0.249764 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5sj0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c([nH]cn1)ncnc2N(C)C3CCCCC3, micromolar IC50=3.41927 手法: X-RAY DIFFRACTION / 解像度: 2.35 Å PDB-5sj1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)[S@@](Cc3ncc(c(c3C)OC(C)C)C)=O)ncs4, micromolar IC50=0.333158 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-5sj2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(Cl)c(ncc1)Cl)C(Nc3cc2nc(nn2cc3)c4ccccc4)=O, micromolar IC50=0.02036 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-5sj3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc(s1)C(N2CCCCC2)=O)c(nn3c4ccc(Cl)cc4)C, micromolar IC50=0.143 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5sj4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccccc1)c2cn(C)c(n2)CCC3=Nc4c(C(N3)=O)cnn4C, micromolar IC50=0.04979 手法: X-RAY DIFFRACTION / 解像度: 2.77 Å PDB-5sj5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(nc(cn1)N)ccc(c2)Cl, micromolar IC50=41.447943 手法: X-RAY DIFFRACTION / 解像度: 2.49 Å PDB-5sj6: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc2c(c1)nc(nc2N3CCOCC3)Cl, micromolar IC50=1.4973168 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5sj7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)SCc3ncc(c(c3)OC(C)C)C)ncs4, micromolar IC50=0.148637 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å PDB-5sj8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(OC)nc2c(c1)nc(c3c(nc(n23)CCC)C)C#N, micromolar IC50=0.013985 手法: X-RAY DIFFRACTION / 解像度: 2.49 Å PDB-5sj9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(C)c(nc(c1)c2ccccc2)CCNC(c3cccn4c(nnc34)C(C)C)=O, micromolar IC50=0.024844 手法: X-RAY DIFFRACTION / 解像度: 2.39 Å PDB-5sja: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc(s1)C(Nc2cc(nn2C(C)(C)C)C)=O)c(nn3c4ccccc4)COc5ncccc5, micromolar IC50=0.075134 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-5sjb: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(ccc2c1cccn2)[nH]c(n3)SCc4ncc(c(c4C)OC)C, micromolar IC50=0.026333 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5sjc: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(c(nn1C)C)Cl)C(Nc3nc2nc(cn2cc3)c4ccccc4)=O, micromolar IC50=0.096957 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å PDB-5sjd: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccnn1c2ccccc2)NC(=O)NCCn3c(cc(n3)C)C, micromolar IC50=>8.112831 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-5sje: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(=NN(c1cccc(c1)[S](=O)(=O)C)C=CC2=O)c3ccnn3c4cccc5c4OC(O5)(F)F, micromolar IC50=0.029598 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5sjf: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3c4c(ncc3)cccc4)c5cc(ccc5)OC(F)(F)F, micromolar IC50=0.002715 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-5sjg: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C4CCN(c1cn(c(n1)CCc3nn2c(ncc(c2n3)C)C)C)C4=O, micromolar IC50=0.039238 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-5sjh: Crystal Structure of human phosphodiesterase 10 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5sji: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c14c(nc([nH]1)c2ccccc2)cc(NC(c3c(cnn3C)Cl)=O)cc4, micromolar IC50=0.169 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-5sjj: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(nc1[nH]cc(c1c2NCC)c3cccc(c3)C(F)(F)F)N, micromolar IC50=0.256 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5sjk: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c([nH]c2c1CCNC2=O)c(ccc3Cl)Cl, micromolar IC50=3.5596173 手法: X-RAY DIFFRACTION / 解像度: 2.24 Å PDB-5sjl: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N(C(c1c(cncc1)NC(c2c(ccc(n2)C3CC3)Nc4cncnc4)=O)=O)CC(C)(O)C, micromolar IC50=0.002076 手法: X-RAY DIFFRACTION / 解像度: 2.64 Å PDB-5sjm: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1C(C(=CC(=C1)c2ccncc2)CCc3ccccc3)=O, micromolar IC50=1.981457 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5sjn: Crystal Structure of human phosphodiesterase 10 in complex with 6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-5sjo: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3ccc(cc3F)F)c4cc(ccc4)OC(F)(F)F, micromolar IC50=0.041355 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5sjp: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1(CCC1)C(=O)c2c(n(nc2)C)C(=O)Nc3cc(nc(c3)C)NC(NC(OCC)=O)=S, micromolar IC50=0.402697 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-5sjq: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12cc(ccc1nc(c(n2)C)C)Cl, micromolar IC50=8.35762 手法: X-RAY DIFFRACTION / 解像度: 2.12 Å PDB-5sjr: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(c1ccc(cc1)c2ccccc2OCC)nc3ccc(cc3c4N[C@@H](C(O)=O)C)F)C#N, micromolar IC50=0.0015665 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5sjs: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C2CC2)Nc3cncnc3)C(Nc4c(ccnc4)C(=O)N(C)C)=O, micromolar IC50=0.087803 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-5sjt: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(Nc2cc1nc(cn1cc2)c3ccccc3)=O)n(nc4)C)C(N(C)C)=O, micromolar IC50=0.000153 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5sju: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(nc(s1)NC(c2c(ncc(n2)C3CC3)Nc4cncnc4)=O)CN5CCCCC5, micromolar IC50=0.03208 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-5sjv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4c(c1cn(c(n1)CCc2cccc3nccnc23)C)cccc4, micromolar IC50=0.48281 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-5sjw: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(Nc1ccc2c(c1)nc([nH]2)c3ccccc3)(=O)c4c(Cl)cnn4CC(C)C, micromolar IC50=0.448073 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5sjx: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(C)nc1c4ccc(OCc3nc2ccccc2cc3)cc4)c5ccncc5, micromolar IC50=0.00070127 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å PDB-5sjy: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(Br)c(nn1C)C)C(=O)Nc3nc2nc(cn2cc3)c4ccccc4, micromolar IC50=0.026781 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5sjz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1(CCOCC1)C(c2c(n(nc2)C)C(Nc4cc3nc(nn3cc4)N5CCCC5)=O)=O, micromolar IC50=0.0008908 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å PDB-5sk0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N2(c1ccc(cn1)Cl)CC[C@H](C2)NC(c3nn(cc3c4ccncc4)C)=O, micromolar IC50=0.708457 手法: X-RAY DIFFRACTION / 解像度: 2.02 Å PDB-5sk1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12nc(cn1ccc(n2)NC(c3c(C(=O)NC)cnn3C)=O)c4ccccc4, micromolar IC50=0.01331975 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5sk2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(ccc(c1)c2nc(c(C)o2)CCOc4ncc3ccccc3c4)F, micromolar IC50=0.224356 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å PDB-5sk3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(cc(c1ccccc1)nc2CCc5nn3c(nc(c3CO)C4CC4)cc5)C, micromolar IC50=0.655585 手法: X-RAY DIFFRACTION / 解像度: 2.32 Å PDB-5sk4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc(cc1N4N=C(c2ccnn2c3ccccc3)C(=O)C=C4C)OC(F)(F)F, micromolar IC50=0.181240 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5sk5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(N1CCOCC1)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000072 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5sk6: Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5sk7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cc1nc(nn1cc2)N(C)C)Br, micromolar IC50=4.393076 手法: X-RAY DIFFRACTION / 解像度: 2.29 Å PDB-5sk8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(Nc1ccc2c(c1)nc([nH]2)c3ccccc3)(=O)c4c(cnn4CCC)Cl, micromolar IC50=0.388979 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5sk9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH COc1cccc2nc(Cl)c(C)nc12, micromolar IC50=7.99191 手法: X-RAY DIFFRACTION / 解像度: 2.82 Å PDB-5ska: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)SCc3ncc(c(c3)OCC)C)ncs4, micromolar IC50=0.151839 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-5skb: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c23c(c1c(cccc1[nH]2)OC)N=CNC3=O, micromolar IC50=>10 手法: X-RAY DIFFRACTION / 解像度: 2.35 Å PDB-5skc: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C)Nc2cncnc2)C(Nc3nn(cc3)C(C)C)=O, micromolar IC50=0.204685 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-5skd: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3cc(ccc3F)F)c4cc(ccc4)OC(F)(F)F, micromolar IC50=0.047063 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5ske: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1nc(nc(c1Nc2cncnc2)C(Nc3cc(ccc3)OC(F)(F)F)=O)C(C)(C)C, micromolar IC50=0.037955 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5skf: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1(=NN(C=CC1=O)c2cccc3c2OC(O3)(F)F)c4ccnn4c5cccc(c5)C#N, micromolar IC50=0.080428 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5skg: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cc1nc(nn1cc2)c3ccccc3)NC(=O)c4cc(nc(c4)NC5CC5)Cl, micromolar IC50=0.0061215 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-5skh: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3cc(ccc3)F)c4cc(ccc4)OC(F)(F)F, micromolar IC50=0.043256 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5ski: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(nc(c1ccccc1)nc2NCc4nn3c(cnc(c3n4)C)C)C, micromolar IC50=0.178156 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-5skj: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(ccc1Nc2cncnc2)C3CC3)C(=O)Nc4ccccc4CC(=O)NC, micromolar IC50=0.053384 手法: X-RAY DIFFRACTION / 解像度: 2.74 Å PDB-5skk: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(cnn1C)NC(c2c(ncc(n2)[C@@H]3COCC3)Nc4cncnc4)=O)C(=O)NC, micromolar IC50=0.011972 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5skl: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(=O)Nc2cc1nc(cn1cc2C#N)c3ccccc3)n(C)nc4)C(=O)N5CCOCC5, micromolar IC50=0.000990 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5skm: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [C@H]3(CCc2nc1ccc(Cl)cc1c(n2)N(C)C)CCN(C3)c4ccccn4, micromolar IC50=0.014172 手法: X-RAY DIFFRACTION / 解像度: 1.91 Å PDB-5skn: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(nccc1C3=NN(c2cccc(c2)NC(=O)C)C=CC3=O)c4ccccc4F, micromolar IC50=0.021094 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5sko: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(nc1Nc2cncnc2)C)C(Nc3cccc(c3)c4cn5c(n4)cccc5)=O, micromolar IC50=0.051579 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5skp: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c14c(cc(s1)C(N2CCN(CC2)c3c(OC)cccc3)=O)c(nn4c5ccccc5)C, micromolar IC50=0.229 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5skq: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(nc3c(c1Sc2ccc(F)cc2)nc[nH]3)N(CC)C, micromolar IC50=0.341 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5skr: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(cc(n1C)NC(c2nn(cc2c3ccncc3)C)=O)c4ncccc4, micromolar IC50=0.124219 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-5sks: Crystal Structure of human phosphodiesterase 10 in complex with ethyl 1-[3-[3-(4-ethoxycarbonyl-5-methyl-imidazol-1-yl)phenoxy]phenyl]-5-methyl-imidazole-4-carboxylate 手法: X-RAY DIFFRACTION / 解像度: 2.31 Å PDB-5skt: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C4(COc2cc1nc(nc(c1cc2)N3CCCC3)C)CC4, micromolar IC50=3.1792013 手法: X-RAY DIFFRACTION / 解像度: 2.02 Å PDB-5sku: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(cc(c(c1nc(c(C)o1)CCOc2ccc(c3ccccc23)C[C@@H](C(O)=O)OC)cc4)OCC)F, micromolar IC50=0.095357 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5skv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(nc1C(=O)NCC(C)(O)C)C)NC(c2c(ccc(n2)C3CC3)Nc4cncnc4)=O, micromolar IC50=0.00362043 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-WP3: N~5~-[(2P,4S)-2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide ChemComp-HOH: WATER ChemComp-IV0: N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea ChemComp-IV4: 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(1-phenyl-1H-pyrazol-5-yl)-1,3-dihydro-2H-imidazol-2-one ChemComp-IV8: (10R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]quinoline ChemComp-GIQ: 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE / IQ ChemComp-IVE: (2S)-N'-[(4-bromo-3,5-dimethoxyphenyl)methyl]-2-ethoxy-2-[4-(morpholin-4-yl)phenyl]acetohydrazide ChemComp-IVJ: N~5~-[2-(3-chlorophenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-4,5-dicarboxamide ChemComp-IVP: N-[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]urea ChemComp-IVT: (4S)-5,8-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine ChemComp-IVY: 3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one ChemComp-IW9: 5-butoxy-4-ethoxypyrimidin-2-amine ChemComp-IWC: 2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline ChemComp-IWG: 5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole ChemComp-IWK: 4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-IWN: 4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-IWS: (4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one ChemComp-IWY: ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-IX2: 2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole ChemComp-IX5: 1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine ChemComp-IX9: 6-(3-methylphenoxy)-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine ChemComp-IXI: 5-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-1H-benzimidazole-6-carboxamide ChemComp-IXL: 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-IXT: (2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide ChemComp-IY2: N~5~-[(4R)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide ChemComp-IY6: (4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine ChemComp-IYA: N-[3-(3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}propoxy)phenyl]acetamide ChemComp-IYD: N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide ChemComp-IYH: 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxylic acid ChemComp-IYK: 2-chloro-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline ChemComp-IYN: 2-methyl-3-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinoxaline ChemComp-IYS: 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione ChemComp-Z73: 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine ChemComp-IYW: 1-benzyl-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one ChemComp-IZ6: 1-phenyl-3-(1-phenyl-1H-pyrazol-5-yl)-5,6-dihydropyridazin-4(1H)-one ChemComp-IZH: (4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-c]pyrimidine ChemComp-IZK: 4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-IZQ: (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6(5H)-one ChemComp-IZT: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N~2~-(methanesulfonyl)-N~2~-naphthalen-1-ylglycinamide ChemComp-IZW: 8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline ChemComp-J0O: 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(morpholin-4-yl)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide ChemComp-J2L: (4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine ChemComp-J4I: 6-{[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methyl]sulfanyl}-2H,5H-[1,3]dioxolo[4,5-f]benzimidazole ChemComp-J6I: 2-amino-4-{[(1S)-cyclohex-2-en-1-yl]oxy}quinoline-3-carbonitrile ChemComp-J7M: 4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one ChemComp-J8J: 5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide ChemComp-J9C: 6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide ChemComp-PR: PRASEODYMIUM ION ChemComp-JAP: (4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine ChemComp-PG4: TETRAETHYLENE GLYCOL / テトラエチレングリコ-ル / 沈殿剤YM ChemComp-JBV: (4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine ChemComp-JCJ: 3-[1-(3-bromophenyl)-1H-pyrazol-5-yl]-1-(pyridin-4-yl)pyridazin-4(1H)-one ChemComp-JDU: 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide ChemComp-JCP: 6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide ChemComp-JD6: 2,3-dimethylquinoxalin-6-amine / 2,3-ジメチルキノキサリン-6-アミン ChemComp-JFG: 3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-carboxamide ChemComp-JFO: (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine ChemComp-JFW: 7-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole ChemComp-JG9: (4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine ChemComp-JGI: 4-(azetidine-1-carbonyl)-1-methyl-N-[3-(phenylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide ChemComp-JH6: N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine ChemComp-JHI: (4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine ChemComp-JHX: N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-methoxypyrazine-2-carboxamide ChemComp-JI8: ~{N}4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2-methyl-~{N}3-(2-phenyl-3~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-3,4-dicarboxamide ChemComp-JIC: N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide ChemComp-JIG: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline ChemComp-JIJ: 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine ChemComp-JIP: N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine ChemComp-JIS: 3-[(naphthalen-1-yl)methyl]-7-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine ChemComp-JIV: (4S)-8-chloro-5,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine ChemComp-JIY: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole ChemComp-JKX: 1-(6-fluoropyridin-2-yl)piperidin-4-one ChemComp-JJ6: [(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol ChemComp-JJF: 2-methyl-3-(pyrrolidin-1-yl)quinoxaline ChemComp-K: Unknown entry / カリウムカチオン ChemComp-CL: Unknown entry / クロリド ChemComp-JJR: {8-[(2-methyl-1,3-thiazol-4-yl)amino]-5-(pyridin-3-yl)-1,7-naphthyridin-2-yl}methanol ChemComp-JK6: 3-[1-(3-ethynylphenyl)-1H-pyrazol-5-yl]-1-phenylpyridazin-4(1H)-one ChemComp-JKD: (4R)-7-methyl-2,5-bis{2-[1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine ChemComp-JKO: 1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-JL6: 6-cyclopropyl-N-[(3R)-1-(pyridin-2-yl)pyrrolidin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide ChemComp-JLI: 1-methyl-5-{[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]carbamoyl}-1H-pyrazole-4-carboxylic acid ChemComp-JLR: 3-[1-(naphthalen-1-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one ChemComp-JM0: N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide ChemComp-JME: 4-(azetidine-1-carbonyl)-N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-1H-pyrazole-5-carboxamide ChemComp-JML: 2-benzyl-6,6-dimethyl-1H-imidazo[4,5-h]isoquinoline-7,9(6H,8H)-dione ChemComp-JMU: N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-3-carboxamide ChemComp-JN6: N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide ChemComp-JNL: N-(2,3-dimethylquinoxalin-6-yl)-N'-(3-methoxyphenyl)urea ChemComp-JNU: (4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine ChemComp-JO6: (4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine ChemComp-JOF: 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one ChemComp-JOO: 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one ChemComp-JP0: N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea ChemComp-JPF: 6-[(3-methylphenyl)sulfanyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine ChemComp-JPU: (5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine / トフィソパム ChemComp-EIK: 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine ChemComp-JQ3: 5-(cyclopentylmethoxy)pyrimidin-2-amine ChemComp-JQC: 4-chloro-N-[2-(3,5-dimethylphenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide ChemComp-JQL: 1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-JQU: N-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide ChemComp-JRC: 1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-JRL: 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-JRX: 2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline ChemComp-JSF: 3,6-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carboxamide ChemComp-JSM: N~4~,1-dimethyl-N~4~-[2-(methylamino)ethyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide ChemComp-JSY: 6-methyl-N-(4-methylphenyl)pyrimidin-4-amine ChemComp-JT9: 3-{2-[(4S)-6,8-dichloro-5-methyl[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl}quinoxalin-2(1H)-one ChemComp-JTL: N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide ChemComp-JTX: (4S)-5-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-8-(trifluoromethyl)[1,2,4]triazolo[1,5-c]pyrimidine ChemComp-JU6: (8S)-5-[(3S)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine ChemComp-JUC: (8R)-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-methyl-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine ChemComp-JWC: 6-cyclopropyl-3-methoxy-N-{2-[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethyl}pyrazine-2-carboxamide ChemComp-JX9: N-cyclohexyl-N-methyl-7H-purin-6-amine ChemComp-JWJ: 7-[(3,5-dimethyl-4-propan-2-yloxy-pyridin-2-yl)methyl-oxidanyl-$l^{3}-sulfanyl]-8~{H}-imidazo[4,5-g][1,3]benzothiazole ChemComp-JWR: 2,3-dichloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide ChemComp-JX0: [1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl](piperidin-1-yl)methanone ChemComp-JXI: 1-methyl-6-{2-[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}-1,2,3,5-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one ChemComp-JXO: 6-chloroquinoxalin-2-amine ChemComp-JXX: 2-chloro-4-(morpholin-4-yl)quinazoline ChemComp-JY3: 7-[({5-methyl-4-[(propan-2-yl)oxy]pyridin-2-yl}methyl)sulfanyl]-8H-imidazo[4,5-g][1,3]benzothiazole ChemComp-JYA: (10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine-6-carbonitrile ChemComp-JYL: (4S)-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-3-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide ChemComp-JYU: N-(1-tert-butyl-3-methyl-1H-pyrazol-5-yl)-1-phenyl-3-{[(pyridin-2-yl)oxy]methyl}-1H-thieno[2,3-c]pyrazole-5-carboxamide ChemComp-K0C: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-f]quinoline ChemComp-K0R: 4-chloro-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-K18: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea ChemComp-K1I: 3-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one ChemComp-K1X: 3-[1-(quinolin-4-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one ChemComp-K2L: 1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one ChemComp-K3F: 4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide ChemComp-K3O: N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine ChemComp-K40: 5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one ChemComp-K49: 6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide ChemComp-K4L: (5S)-5-(2-phenylethyl)[3,4'-bipyridin]-6(5H)-one ChemComp-K7O: (4R)-6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine ChemComp-K79: 3-[1-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one ChemComp-K6O: ethyl [(4-{[4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}-6-methylpyridin-2-yl)carbamothioyl]carbamate ChemComp-K6F: 6-chloro-2,3-dimethylquinoxaline / 2,3-ジメチル-6-クロロキノキサリン ChemComp-K63: N-[3-cyano-2-(2'-ethoxy[1,1'-biphenyl]-4-yl)-6-fluoroquinolin-4-yl]-D-alanine ChemComp-K5R: 6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide ChemComp-K5F: N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide ChemComp-K4U: 6-cyclopropyl-N-{(4S)-4-[(piperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide ChemComp-K9F: 5-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline ChemComp-K9O: 4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide ChemComp-PF9: 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline / 2-[4-[1-メチル-4-(4-ピリジル)-1H-ピラゾ-ル-3-イル]フェノキシメチル]キノリン / 阻害剤YM ChemComp-K9X: 4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-KA6: 1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide ChemComp-KAU: N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide ChemComp-IKE: N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide ChemComp-KB6: 3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline ChemComp-IIR: {(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol ChemComp-KBL: 6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one ChemComp-KC9: 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide ChemComp-KCF: 4-bromanyl-~{N},~{N}-dimethyl-1$l^{4},7,9-triazabicyclo[4.3.0]nona-1,3,5-trien-8-amine ChemComp-BR: BROMIDE ION / ブロミド ChemComp-KCU: 4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide ChemComp-KD4: 2-chloro-5-methoxy-3-methylquinoxaline ChemComp-KDC: 7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole ChemComp-KDX: 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one ChemComp-KE6: 6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide ChemComp-KER: 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one ChemComp-KF3: 2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide ChemComp-KF9: 3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile ChemComp-KFI: 2-chloro-6-(cyclopropylamino)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide ChemComp-KFO: 3-[1-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one ChemComp-KFX: N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine ChemComp-KG3: 6-cyclopropyl-N-{2-[2-(methylamino)-2-oxoethyl]phenyl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide ChemComp-KGO: N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-6-[(3S)-oxolan-3-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide ChemComp-KH6: N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide ChemComp-KHI: 6-chloro-N,N-dimethyl-2-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinazolin-4-amine ChemComp-KHU: N-(3-{3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-4-oxopyridazin-1(4H)-yl}phenyl)acetamide ChemComp-KI4: N-{3-[(4R)-imidazo[1,2-a]pyridin-2-yl]phenyl}-1-methyl-3-[(pyrimidin-5-yl)amino]-1H-pyrazole-4-carboxamide ChemComp-KI8: [4-(2-methoxyphenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone ChemComp-KIE: N-ethyl-6-[(4-fluorophenyl)sulfanyl]-N-methyl-7H-purin-2-amine ChemComp-KII: 1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide ChemComp-KIS: diethyl 1,1'-[oxydi(3,1-phenylene)]bis(5-methyl-1H-imidazole-4-carboxylate) ChemComp-KIY: 7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline ChemComp-KJ3: (2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid ChemComp-KJC: 6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
由来	homo sapiens (ヒト)
キーワード	HYDROLASE/HYDROLASE inhibitor / PHOSPHODIESTERASE / PDE10 / HYDROLASE / SCHIZOPHRENIA / HYDROLASE-HYDROLASE inhibitor complex

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2019年1月31日: EMDBのIDの桁数の変更

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2017年7月12日: PDB大規模アップデート

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