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7FXM
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BU of 7fxm by Molmil
Crystal Structure of human FABP4 in complex with 5-cyclohexyl-2-hydroxybenzoic acid, i.e. SMILES c1(C2CCCCC2)cc(c(cc1)O)C(=O)O with IC50=0.667 microM
分子名称: 5-cyclohexyl-2-hydroxybenzoate, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Urban, R, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FYI
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BU of 7fyi by Molmil
Crystal Structure of human FABP4 in complex with 5-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrazol-3-ol, i.e. SMILES C1(=CC(=NN1C)CSc1ccc(cc1)Cl)O with IC50=17 microM
分子名称: (5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Kumagai, Y, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FYL
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BU of 7fyl by Molmil
Crystal Structure of human FABP4 in complex with 6-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)sulfanylhexanoic acid, i.e. SMILES c1(S[C@@H](CCCCSc2ccc(cc2)Cl)C(=O)O)ccc(cc1)C with IC50=0.25724 microM
分子名称: (2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Boehringer, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FYR
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BU of 7fyr by Molmil
Crystal Structure of human FABP4 in complex with 5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione, i.e. SMILES C1(c2cc(c(cc2)Cl)Cl)(C(=O)NC(=S)NC1=O)C with IC50=3.3 microM
分子名称: 5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Borgulya, J, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FZC
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BU of 7fzc by Molmil
Crystal Structure of human FABP4 in complex with 5-[(2-chlorophenoxy)methyl]-4-propan-2-yl-1,2,4-triazole-3-thiol, i.e. SMILES N1(C(=NN=C1COc1c(Cl)cccc1)S)C(C)C with IC50=0.249 microM
分子名称: 5-[(2-chlorophenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FVV
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BU of 7fvv by Molmil
Crystal Structure of human FABP4 in complex with (1S,2R)-2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid
分子名称: (1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7G06
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BU of 7g06 by Molmil
Crystal Structure of human FABP4 in complex with 5-(chloromethyl)-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, i.e. SMILES c1cccc(c1)C1=NN2C(=N1)NC(=CC2=O)CCl with IC50=28 microM
分子名称: (8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7G18
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BU of 7g18 by Molmil
Crystal Structure of human FABP4 in complex with 4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid, i.e. SMILES [C@@](c1cc(c(cc1)Cl)Cl)(C(=O)O)(CCOc1cc(c(cc1)Cl)F)C with IC50=0.202 microM
分子名称: (2S)-4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Nettekoven, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7G1N
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BU of 7g1n by Molmil
Crystal Structure of human FABP4 in complex with rac-(1R,2R)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid, i.e. SMILES C1(=C(C2=C(S1)CCCC2)C1=NC(=NO1)C)NC(=O)[C@@H]1[C@H](CCCC1)C(=O)O with IC50=0.365 microM
分子名称: (1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWG
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BU of 7fwg by Molmil
Crystal Structure of human FABP4 in complex with 1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES c1(cc(c(cc1)Cl)Oc1ccccc1)CN1C(=O)C=C(C=C1)O with IC50=0.319 microM
分子名称: 1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2(1H)-one, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWK
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BU of 7fwk by Molmil
Crystal Structure of human FABP4 in complex with 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
分子名称: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FX0
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BU of 7fx0 by Molmil
Crystal Structure of human FABP4 in complex with 5-[(2-chloroanilino)methyl]-4-ethyl-1,2,4-triazole-3-thiol, i.e. SMILES N1(C(=NN=C1CNc1c(Cl)cccc1)S)CC with IC50=0.705 microM
分子名称: 5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FVX
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BU of 7fvx by Molmil
Crystal Structure of human FABP4 in complex with 4-(1-methyl-2-phenylindol-3-yl)cyclohexane-1-carboxylic acid, i.e. SMILES c1ccc2c(c1)C(=C(N2C)c1ccccc1)[C@@H]1CC[C@@H](CC1)C(=O)O with IC50=0.048 microM
分子名称: (1s,4s)-4-(1-methyl-2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte
著者Ehler, A, Benz, J, Obst, U, Lerner, C, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWL
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BU of 7fwl by Molmil
Crystal Structure of human FABP4 in complex with 5-[(3,4-dichlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one, i.e. SMILES c1(cc(c(cc1)Cl)Cl)CN1CC(=O)NS1(=O)=O with IC50=0.466 microM
分子名称: 5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FX8
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BU of 7fx8 by Molmil
Crystal Structure of human FABP4 in complex with 4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, i.e. SMILES c1(c2c(C3=NN=NN3)c(CC(C)C)c3c(n2)CCCCC3)ccccc1 with IC50=0.0809837 microM
分子名称: (3M)-4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FXD
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BU of 7fxd by Molmil
Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM
分子名称: 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, Fatty acid-binding protein 5
著者Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal Structure of a human FABP5 complex
To be published
7FYO
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BU of 7fyo by Molmil
Crystal Structure of human FABP4 in complex with 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid, i.e. SMILES C(=O)(Nc1cc(cc(c1)Cl)Cl)CC(CC(=O)O)(C)C with IC50=4.4 microM
分子名称: 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FZO
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BU of 7fzo by Molmil
Crystal Structure of human FABP4 in complex with 4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, i.e. SMILES [C@H]12[C@@]3(O[C@H]([C@H]2C(=O)O)C=C3)CN(C1=O)CCc1ccccc1 with IC50=3.5 microM
分子名称: (3aR,6S,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FXH
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BU of 7fxh by Molmil
Crystal Structure of human FABP4 in complex with 2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, i.e. SMILES c1(c(c(c2c(n1)CCCCC2)c1ccccc1)C1=NN=NN1)[C@H]1CCCO1 with IC50=0.0496937 microM
分子名称: (3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FXU
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BU of 7fxu by Molmil
Crystal Structure of human FABP4 in complex with 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1(=C(C)C(=C(S1)NC(=O)C1=C(CCC1)C(=O)O)C1=NC(=NO1)C1CC1)C with IC50=0.00967858 microM
分子名称: 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FY5
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BU of 7fy5 by Molmil
Crystal Structure of human FABP4 in complex with 2,5,5-trimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-3-carboxylic acid, i.e. SMILES c12c(cc(c(c1)C(=O)O)C)CCCCC2(C)C with IC50=2.9 microM
分子名称: 3,9,9-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Mohr, P, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FZU
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BU of 7fzu by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM
分子名称: 1,2-ETHANEDIOL, 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
7G02
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BU of 7g02 by Molmil
Crystal Structure of human FABP4 in complex with 7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid, i.e. SMILES c1(c2c(ccc1C(=O)O)ccc(c2)OC)c1cc(ccc1)OC with IC50=0.045 microM
分子名称: (1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid, 1,2-ETHANEDIOL, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Guthrie-Robert, W, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FYE
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BU of 7fye by Molmil
Crystal Structure of human FABP4 in complex with 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES C1(=CC(=O)N(C=C1)Cc1ccc(cc1)Cl)O with IC50=7.8 microM
分子名称: 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FYJ
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BU of 7fyj by Molmil
Crystal Structure of human FABP4 in complex with 5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, i.e. SMILES c1(cccc(c1C)Cl)OCC1=CC(=O)N2N=C(c3ccccc3)N=C2N1 with IC50=0.061 microM
分子名称: (8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published

238895

件を2025-07-16に公開中

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