![JUM JUM](https://data.pdbj.org/pdbjplus/data/cc/svg/JUM.svg) | JUM | 表記: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one | 組成式: | C16 H14 Cl2 N4 O2 | SMILES: | C1c2c(CCN1C(CO)=O)nc3c2c(cc(c3Cl)Cl)c4cnnc4 | InChi: | InChI=1S/C16H14Cl2N4O2/c17-11-3-9(8-4-19-20-5-8)14-10-6-22(13(24)7-23)2-1-12(10)21-16(14)15(11)18/h3-5,21,23H,1-2,6-7H2,(H,19,20) | 定義日: | 2018-09-25 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one |
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![L8D L8D](https://data.pdbj.org/pdbjplus/data/cc/svg/L8D.svg) | L8D | 表記: | (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide | 組成式: | C23 H24 N6 O3 | SMILES: | c1c2c(cc(OC)n1)CCC(C(N2C)=O)NC(=O)c3nc5n(n3)C(c4ccccc4)CC5 | InChi: | InChI=1S/C23H24N6O3/c1-28-18-13-24-20(32-2)12-15(18)8-9-16(23(28)31)25-22(30)21-26-19-11-10-17(29(19)27-21)14-6-4-3-5-7-14/h3-7,12-13,16-17H,8-11H2,1-2H3,(H,25,30)/t16-,17-/m0/s1 | 定義日: | 2019-02-12 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide |
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![5DD 5DD](https://data.pdbj.org/pdbjplus/data/cc/svg/5DD.svg) | 5DD | 表記: | [(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate | 組成式: | C18 H24 N3 O9 P | SMILES: | Cc1cc2C[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C | InChi: | InChI=1S/C18H24N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-4,11,13-15,22-24H,5-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,13+,14-,15+/m1/s1 | 定義日: | 2018-10-31 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | [(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
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![Z3A Z3A](https://data.pdbj.org/pdbjplus/data/cc/svg/Z3A.svg) | Z3A | 表記: | 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide | 組成式: | C18 H20 N4 O3 | SMILES: | O=C(c1cnn2c(c1NC(CO)C(O)C)cc(c2)c3ccccc3)N | InChi: | InChI=1S/C18H20N4O3/c1-11(24)15(10-23)21-17-14(18(19)25)8-20-22-9-13(7-16(17)22)12-5-3-2-4-6-12/h2-9,11,15,21,23-24H,10H2,1H3,(H2,19,25)/t11-,15-/m1/s1 | 定義日: | 2019-02-12 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide |
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![B8B B8B](https://data.pdbj.org/pdbjplus/data/cc/svg/B8B.svg) | B8B | 表記: | cobaltcarborane | 組成式: | C6 H7 B18 Co N2 O2 S | SMILES: | N[S](=O)(=O)NCC[C]1234[C]56[B]789[B]15%10[B]7%11%12[B]8%13%14[B]69%15[B]%13%16%17[B]%11%14%18[B]2%10%12[B]3%16%18[Co]4%15%17%19%20[B]%21%22%23[C]%24%25[C]%26%27[B]%24%28%29[B]%21%25%30[B]%28%31%32[B]%26%29%33[B]%19%27%34[B]%31%33%35[B]%22%30%32[B]%20%23%34%35 | InChi: | InChI=1S/C4H7B9N2O2S.C2B9.Co/c14-18(16,17)15-2-1-4-3-5-7-6(4)10(4)8(3,4)9(3,5)11(5,7)12(6,7,10)13(8,9,10)11 | 定義日: | 2017-09-21 | 最終更新日: | 2019-05-13 | 公開日: | 2018-08-01 |
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![FJK FJK](https://data.pdbj.org/pdbjplus/data/cc/svg/FJK.svg) | FJK | 表記: | 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea | 組成式: | C37 H41 N9 O3 | SMILES: | O=C(Nc1cc(COCc2cn(CCNC3=C4C=CC=CC4=N[CH]5CCCC[CH]35)nn2)ccn1)Nc6cccc7C(=O)N8CCCC[CH]8c67 | InChi: | InChI=1S/C37H41N9O3/c47-36-28-10-7-13-31(34(28)32-14-5-6-18-46(32)36)41-37(48)42-33-20-24(15-16-38-33)22-49-23-25-21-45(44-43-25)19-17-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,15-16,20-21,27,30,32,39H,2,4-6,9,12,14,17-19,22-23H2,(H2,38,41,42,48)/t27?,30?,32-/m1/s1 | 定義日: | 2018-07-12 | 最終更新日: | 2019-05-10 | 公開日: | 2019-05-15 | 識別子(ID): | 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea |
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![FJN FJN](https://data.pdbj.org/pdbjplus/data/cc/svg/FJN.svg) | FJN | 表記: | [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium | 組成式: | C38 H45 N10 O2 | SMILES: | C[NH+](Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCC[CH]4c23)c1)Cc5cn(CCNC6=C7C=CC=CC7=N[CH]8CCCC[CH]68)nn5 | InChi: | InChI=1S/C38H44N10O2/c1-46(23-26-24-47(45-44-26)20-18-40-36-27-9-2-4-12-30(27)41-31-13-5-3-10-28(31)36)22-25-16-17-39-34(21-25)43-38(50)42-32-14-8-11-29-35(32)33-15-6-7-19-48(33)37(29)49/h2,4,8-9,11-12,14,16-17,21,24,28,31,33,40H,3,5-7,10,13,15,18-20,22-23H2,1H3,(H2,39,42,43,50)/p+1/t28?,31?,33-/m0/s1 | 定義日: | 2018-07-12 | 最終更新日: | 2019-05-10 | 公開日: | 2019-05-15 | 識別子(ID): | [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium |
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![FW8 FW8](https://data.pdbj.org/pdbjplus/data/cc/svg/FW8.svg) | FW8 | 表記: | 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea | 組成式: | C35 H35 N9 O2 | SMILES: | O=C(Nc1cc(ccn1)c2cn(CCNc3c4CCCCc4nc5ccccc35)nn2)Nc6cccc7C(=O)N8CCCC[CH]8c67 | InChi: | InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m0/s1 | 定義日: | 2018-08-03 | 最終更新日: | 2019-05-10 | 公開日: | 2019-05-15 | 識別子(ID): | 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea |
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![75F 75F](https://data.pdbj.org/pdbjplus/data/cc/svg/75F.svg) | 75F | 表記: | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one | 組成式: | C20 H23 N3 O | SMILES: | CCC2(C1C(CC(CC1=Nc3nncc23)(C)C)=O)c4ccccc4 | InChi: | InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12,17H,4,10-11H2,1-3H3,(H,21,23)/t17-,20-/m0/s1 | 定義日: | 2016-08-26 | 最終更新日: | 2019-05-08 | 公開日: | 2018-02-21 | 識別子(ID): | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
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![N79 N79](https://data.pdbj.org/pdbjplus/data/cc/svg/N79.svg) | N79 | 表記: | [(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | 組成式: | C17 H18 B N5 O8 P | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[B-]5(OCc6ccccc56)O[CH]34 | InChi: | InChI=1S/C17H18BN5O8P/c19-15-12-16(21-7-20-15)23(8-22-12)17-14-13(11(29-17)6-28-32(24,25)26)30-18(31-14)10-4-2-1-3-9(10)5-27-18/h1-4,7-8,11,13-14,17H,5-6H2,(H2,19,20,21)(H2,24,25,26)/q-1/t11-,13-,14-,17-,18+/m1/s1 | 定義日: | 2012-04-24 | 最終更新日: | 2019-05-06 | 識別子(ID): | [(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate |
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![LFM LFM](https://data.pdbj.org/pdbjplus/data/cc/svg/LFM.svg) | LFM | 表記: | N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide | 組成式: | C14 H14 F N3 O2 | SMILES: | N(Cc1ccc(F)cc1)C(=O)c2cnn3c2OCCC3 | InChi: | InChI=1S/C14H14FN3O2/c15-11-4-2-10(3-5-11)8-16-13(19)12-9-17-18-6-1-7-20-14(12)18/h2-5,9H,1,6-8H2,(H,16,19) | 定義日: | 2019-02-22 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide |
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![EX5 EX5](https://data.pdbj.org/pdbjplus/data/cc/svg/EX5.svg) | EX5 | 表記: | Jerantinine B | 組成式: | C24 H28 N2 O6 | SMILES: | CC[C]12CC(=C3Nc4cc(OC)c(OC(C)=O)cc4[C]35CCN(C[CH]6O[CH]16)[CH]25)C(=O)OC | InChi: | InChI=1S/C24H28N2O6/c1-5-23-10-13(21(28)30-4)19-24(6-7-26(22(23)24)11-18-20(23)32-18)14-8-17(31-12(2)27)16(29-3)9-15(14)25-19/h8-9,18,20,22,25H,5-7,10-11H2,1-4H3/t18-,20-,22-,23+,24-/m0/s1 | 定義日: | 2018-05-01 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 |
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![M3D M3D](https://data.pdbj.org/pdbjplus/data/cc/svg/M3D.svg) | M3D | 表記: | 7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide | 組成式: | C28 H25 N3 O4 | SMILES: | C2=C(C(=O)NCCN1CCOCC1)c4ccc(cc4Oc3c2cccc3)c5ccc(O)c(C#N)c5 | InChi: | InChI=1S/C28H25N3O4/c29-18-22-15-19(6-8-25(22)32)20-5-7-23-24(28(33)30-9-10-31-11-13-34-14-12-31)16-21-3-1-2-4-26(21)35-27(23)17-20/h1-8,15-17,32H,9-14H2,(H,30,33) | 定義日: | 2019-03-20 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide |
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![HKJ HKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HKJ.svg) | HKJ | 表記: | N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine | 組成式: | C21 H21 F N6 O3 S | SMILES: | c2(NC(c1ccc(cn1)F)C)ccc3c(n2)n(cc3S(C4COC4)(=O)=O)c5cc(C)nn5 | InChi: | InChI=1S/C21H21FN6O3S/c1-12-7-20(27-26-12)28-9-18(32(29,30)15-10-31-11-15)16-4-6-19(25-21(16)28)24-13(2)17-5-3-14(22)8-23-17/h3-9,13,15H,10-11H2,1-2H3,(H,24,25)(H,26,27)/t13-/m0/s1 | 定義日: | 2018-07-09 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine |
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![J3Y J3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/J3Y.svg) | J3Y | 表記: | [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone | 組成式: | C23 H24 F N7 O2 | SMILES: | c1(nc3c(cc1)c(cn3c2cc(C)nn2)C(N4CCOCC4)=O)NC(C)c5ncc(cc5)F | InChi: | InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1 | 定義日: | 2018-08-08 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone |
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![J4M J4M](https://data.pdbj.org/pdbjplus/data/cc/svg/J4M.svg) | J4M | 表記: | N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine | 組成式: | C18 H16 F2 N6 | SMILES: | c4(NC(c1ccc(cc1F)F)C)ccc2n(c(cn2)c3cc(C)nn3)n4 | InChi: | InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1 | 定義日: | 2018-08-10 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine |
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![K4A K4A](https://data.pdbj.org/pdbjplus/data/cc/svg/K4A.svg) | K4A | 表記: | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one | 組成式: | C23 H26 N10 O | SMILES: | n1(c6c(nc1c2c(C)n(nc2)CC)c(N3CCC(CC3)N4c5c(NC4=O)nccc5)ncn6)C | InChi: | InChI=1S/C23H26N10O/c1-4-32-14(2)16(12-27-32)20-28-18-21(30(20)3)25-13-26-22(18)31-10-7-15(8-11-31)33-17-6-5-9-24-19(17)29-23(33)34/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,24,29,34) | 定義日: | 2018-10-26 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one |
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![FQ1 FQ1](https://data.pdbj.org/pdbjplus/data/cc/svg/FQ1.svg) | FQ1 | 表記: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate | 組成式: | C29 H38 F2 N2 O8 S | SMILES: | c1(OC)ccc(cc1)S(=O)(N(CC(C(Cc2cc(cc(c2)F)F)NC(=O)OC3CCOC4OCCC34)O)CC(C)C)=O | InChi: | InChI=1S/C29H38F2N2O8S/c1-18(2)16-33(42(36,37)23-6-4-22(38-3)5-7-23)17-26(34)25(14-19-12-20(30)15-21(31)13-19)32-29(35)41-27-9-11-40-28-24(27)8-10-39-28/h4-7,12-13,15,18,24-28,34H,8-11,14,16-17H2,1-3H3,(H,32,35)/t24-,25-,26+,27-,28+/m0/s1 | 定義日: | 2018-04-11 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
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![FQ4 FQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/FQ4.svg) | FQ4 | 表記: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate | 組成式: | C29 H39 F N2 O8 S | SMILES: | c1(OC)ccc(cc1)S(=O)(N(CC(C)C)CC(C(Cc2ccc(cc2)F)NC(=O)OC3CCOC4C3CCO4)O)=O | InChi: | InChI=1S/C29H39FN2O8S/c1-19(2)17-32(41(35,36)23-10-8-22(37-3)9-11-23)18-26(33)25(16-20-4-6-21(30)7-5-20)31-29(34)40-27-13-15-39-28-24(27)12-14-38-28/h4-11,19,24-28,33H,12-18H2,1-3H3,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1 | 定義日: | 2018-04-11 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
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![HB8 HB8](https://data.pdbj.org/pdbjplus/data/cc/svg/HB8.svg) | HB8 | 表記: | [7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide | 組成式: | C13 H17 B N O5 S | SMILES: | CC(C)(C)OC(=O)Nc1cccc2cc(sc12)[B-](O)(O)O | InChi: | InChI=1S/C13H17BNO5S/c1-13(2,3)20-12(16)15-9-6-4-5-8-7-10(14(17,18)19)21-11(8)9/h4-7,17-19H,1-3H3,(H,15,16)/q-1 | 定義日: | 2018-12-04 | 最終更新日: | 2019-04-19 | 公開日: | 2019-04-24 | 識別子(ID): | [7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide |
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![HCH HCH](https://data.pdbj.org/pdbjplus/data/cc/svg/HCH.svg) | HCH | 表記: | (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide | 組成式: | C9 H8 B O5 S | SMILES: | OC(=O)c1cccc2cc(sc12)[B-](O)(O)O | InChi: | InChI=1S/C9H8BO5S/c11-9(12)6-3-1-2-5-4-7(10(13,14)15)16-8(5)6/h1-4,13-15H,(H,11,12)/q-1 | 定義日: | 2018-12-03 | 最終更新日: | 2019-04-19 | 公開日: | 2019-04-24 | 識別子(ID): | (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide |
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![HCQ HCQ](https://data.pdbj.org/pdbjplus/data/cc/svg/HCQ.svg) | HCQ | 表記: | [5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide | 組成式: | C9 H11 B N O3 S | SMILES: | NCc1ccc2sc(cc2c1)[B-](O)(O)O | InChi: | InChI=1S/C9H11BNO3S/c11-5-6-1-2-8-7(3-6)4-9(15-8)10(12,13)14/h1-4,12-14H,5,11H2/q-1 | 定義日: | 2018-12-03 | 最終更新日: | 2019-04-19 | 公開日: | 2019-04-24 | 識別子(ID): | [5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide |
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![HD5 HD5](https://data.pdbj.org/pdbjplus/data/cc/svg/HD5.svg) | HD5 | 表記: | [5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid | 組成式: | C9 H10 B N O2 S | SMILES: | NCc1ccc2sc(cc2c1)B(O)O | InChi: | InChI=1S/C9H10BNO2S/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4,12-13H,5,11H2 | 定義日: | 2018-12-03 | 最終更新日: | 2019-04-19 | 公開日: | 2019-04-24 | 識別子(ID): | [5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid |
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![JDV JDV](https://data.pdbj.org/pdbjplus/data/cc/svg/JDV.svg) | JDV | 表記: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate | 組成式: | C33 H41 F N4 O7 S2 | SMILES: | C21OCC3C(C(CO1)C2C3)OC(NC(C(CN(CC(C)C)S(c4cc5c(cc4)nc(s5)NC6CC6)(=O)=O)O)Cc7ccc(F)cc7)=O | InChi: | InChI=1S/C33H41FN4O7S2/c1-18(2)14-38(47(41,42)23-9-10-26-29(13-23)46-32(36-26)35-22-7-8-22)15-28(39)27(11-19-3-5-21(34)6-4-19)37-33(40)45-30-20-12-24-25(30)17-44-31(24)43-16-20/h3-6,9-10,13,18,20,22,24-25,27-28,30-31,39H,7-8,11-12,14-17H2,1-2H3,(H,35,36)(H,37,40)/t20-,24-,25-,27+,28-,30+,31+/m1/s1 | 定義日: | 2018-09-05 | 最終更新日: | 2019-04-19 | 公開日: | 2019-04-24 | 識別子(ID): | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate |
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![JDY JDY](https://data.pdbj.org/pdbjplus/data/cc/svg/JDY.svg) | JDY | 表記: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate | 組成式: | C33 H41 F N4 O7 S2 | SMILES: | C21OCC3C(C(CO1)C2C3)OC(NC(C(CN(CC(C)C)S(c4cc5c(cc4)nc(s5)NC6CC6)(=O)=O)O)Cc7cccc(c7)F)=O | InChi: | InChI=1S/C33H41FN4O7S2/c1-18(2)14-38(47(41,42)23-8-9-26-29(13-23)46-32(36-26)35-22-6-7-22)15-28(39)27(11-19-4-3-5-21(34)10-19)37-33(40)45-30-20-12-24-25(30)17-44-31(24)43-16-20/h3-5,8-10,13,18,20,22,24-25,27-28,30-31,39H,6-7,11-12,14-17H2,1-2H3,(H,35,36)(H,37,40)/t20-,24-,25-,27+,28-,30+,31+/m1/s1 | 定義日: | 2018-09-05 | 最終更新日: | 2019-04-19 | 公開日: | 2019-04-24 | 識別子(ID): | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate |
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