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5SJW
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BU of 5sjw by Molmil
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
分子名称: 4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SG5
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BU of 5sg5 by Molmil
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
分子名称: MAGNESIUM ION, N-[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]urea, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGN
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BU of 5sgn by Molmil
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
分子名称: (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, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SH3
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BU of 5sh3 by Molmil
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
分子名称: (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, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKD
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BU of 5skd by Molmil
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
分子名称: 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, GLYCEROL, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Rogers-Evans, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKU
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BU of 5sku by Molmil
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
分子名称: (2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Binggeli, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SH1
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BU of 5sh1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc4c(c1OCCc2c(C)oc(n2)c3ccccc3)nccc4, micromolar IC50=0.416097
分子名称: 8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Binggeli, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHI
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BU of 5shi by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccc(c2nc(c(n12)C)C)CCc3nc(cn3C)c4ccccc4)C, micromolar IC50=0.954878
分子名称: (4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHK
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BU of 5shk by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ncc(c2cccnc12)c3cccnc3)Nc4cccc(n4)C, micromolar IC50=0.911105
分子名称: MAGNESIUM ION, N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Jaeschke, G, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SI3
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BU of 5si3 by Molmil
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
分子名称: 1-methyl-5-{[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]carbamoyl}-1H-pyrazole-4-carboxylic acid, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SI0
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BU of 5si0 by Molmil
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
分子名称: (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, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SII
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BU of 5sii by Molmil
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
分子名称: (5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Zeller, P, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJ0
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BU of 5sj0 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c([nH]cn1)ncnc2N(C)C3CCCCC3, micromolar IC50=3.41927
分子名称: MAGNESIUM ION, N-cyclohexyl-N-methyl-7H-purin-6-amine, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Maurer, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJG
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BU of 5sjg by Molmil
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
分子名称: 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, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIL
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BU of 5sil by Molmil
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
分子名称: 4-chloro-N-[2-(3,5-dimethylphenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIV
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BU of 5siv by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(c2cc1c(nccn1)cc2)(=O)NCc3cccs3, micromolar IC50=>10
分子名称: MAGNESIUM ION, N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHC
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BU of 5shc by Molmil
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
分子名称: 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJX
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BU of 5sjx by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(C)nc1c4ccc(OCc3nc2ccccc2cc3)cc4)c5ccncc5, micromolar IC50=0.00070127
分子名称: 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, GLYCEROL, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKE
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BU of 5ske by Molmil
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
分子名称: 2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKV
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BU of 5skv by Molmil
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
分子名称: 6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHS
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BU of 5shs by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c34c(n(Cc1cccc2c1cccc2)nn3)ncnc4N5CCCCC5, micromolar IC50=0.183
分子名称: 3-[(naphthalen-1-yl)methyl]-7-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, GLYCEROL, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIG
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BU of 5sig by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1(NC(=Nc2c1cccc2)CN(C(=O)Nc3ccccc3)Cc4ccc(OC)cc4)=O, micromolar IC50=0.024784
分子名称: MAGNESIUM ION, N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIZ
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BU of 5siz by Molmil
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
分子名称: 6-cyclopropyl-3-methoxy-N-{2-[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethyl}pyrazine-2-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJI
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BU of 5sji by Molmil
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
分子名称: 4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide, GLYCEROL, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Canesso, R, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHM
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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
分子名称: MAGNESIUM ION, N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-methoxypyrazine-2-carboxamide, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published

227344

件を2024-11-13に公開中

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