5NXO
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![BU of 5nxo by Molmil](/molmil-images/mine/5nxo) | Carbonic Anhydrase II Inhibitor RA6 | 分子名称: | 4-[(4-nitrophenyl)methyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXV
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![BU of 5nxv by Molmil](/molmil-images/mine/5nxv) | Carbonic Anhydrase II Inhibitor RA8 | 分子名称: | 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NY3
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![BU of 5ny3 by Molmil](/molmil-images/mine/5ny3) | Carbonic Anhydrase II Inhibitor RA11 | 分子名称: | 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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7JNX
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![BU of 7jnx by Molmil](/molmil-images/mine/7jnx) | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide | 分子名称: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.286 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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7JO0
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![BU of 7jo0 by Molmil](/molmil-images/mine/7jo0) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide | 分子名称: | Carbonic anhydrase 2, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ZINC ION | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.607 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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5NEA
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![BU of 5nea by Molmil](/molmil-images/mine/5nea) | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(2-methyl-1,3-oxazol-5-yl)benzene-1-sulfonammide | 分子名称: | 1,2-ETHANEDIOL, 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Ferraroni, M, Supuran, C.T, Krasavin, M. | 登録日 | 2017-03-10 | 公開日 | 2017-12-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | 1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads. Bioorg. Med. Chem., 25, 2017
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7K6I
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![BU of 7k6i by Molmil](/molmil-images/mine/7k6i) | Carbonic Anhydrase II complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide | 分子名称: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, Singh, S, McKenna, R. | 登録日 | 2020-09-20 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.406 Å) | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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7K6X
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![BU of 7k6x by Molmil](/molmil-images/mine/7k6x) | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | 分子名称: | 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, Singh, S, McKenna, R. | 登録日 | 2020-09-21 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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7JO1
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![BU of 7jo1 by Molmil](/molmil-images/mine/7jo1) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide, ... | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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7JOB
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![BU of 7job by Molmil](/molmil-images/mine/7job) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, ... | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-06 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.381 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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5OGN
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![BU of 5ogn by Molmil](/molmil-images/mine/5ogn) | Metalacarborane inhibitors of Carbonic Anhydrase IX | 分子名称: | Carbonic anhydrase 2, ZINC ION, cobaltcarborane | 著者 | Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V. | 登録日 | 2017-07-13 | 公開日 | 2018-08-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX. J.Med.Chem., 2019
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7K6K
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![BU of 7k6k by Molmil](/molmil-images/mine/7k6k) | Carbonic Anhydrase II complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | 分子名称: | 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, Singh, S, McKenna, R. | 登録日 | 2020-09-20 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.306 Å) | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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7K6T
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![BU of 7k6t by Molmil](/molmil-images/mine/7k6t) | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide | 分子名称: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Andring, J.T, Singh, S, McKenna, R. | 登録日 | 2020-09-21 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.759 Å) | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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7K6J
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![BU of 7k6j by Molmil](/molmil-images/mine/7k6j) | Carbonic Anhydrase II complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | 分子名称: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, Singh, S, McKenna, R. | 登録日 | 2020-09-20 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.755 Å) | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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7K6U
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![BU of 7k6u by Molmil](/molmil-images/mine/7k6u) | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | 分子名称: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, Singh, S, McKenna, R. | 登録日 | 2020-09-21 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.605 Å) | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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7K6L
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![BU of 7k6l by Molmil](/molmil-images/mine/7k6l) | |
7JOC
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![BU of 7joc by Molmil](/molmil-images/mine/7joc) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantanecarboxamide | 分子名称: | (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-06 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.385 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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5OHH
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![BU of 5ohh by Molmil](/molmil-images/mine/5ohh) | Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2017-07-17 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide To be published
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5NY6
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![BU of 5ny6 by Molmil](/molmil-images/mine/5ny6) | Carbonic Anhydrase II Inhibitor RA12 | 分子名称: | 4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide, 4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide, Carbonic anhydrase 2, ... | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXG
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![BU of 5nxg by Molmil](/molmil-images/mine/5nxg) | Carbonic Anhydrase II Inhibitor RA1 | 分子名称: | 2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXP
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![BU of 5nxp by Molmil](/molmil-images/mine/5nxp) | Carbonic Anhydrase II Inhibitor RA7 | 分子名称: | 2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXW
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![BU of 5nxw by Molmil](/molmil-images/mine/5nxw) | Carbonic Anhydrase II Inhibitor RA9 | 分子名称: | 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NYA
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![BU of 5nya by Molmil](/molmil-images/mine/5nya) | Carbonic Anhydrase II Inhibitor RA13 | 分子名称: | Carbonic anhydrase 2, GLUTARIC ACID, ZINC ION, ... | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NY1
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![BU of 5ny1 by Molmil](/molmil-images/mine/5ny1) | Carbonic Anhydrase II Inhibitor RA10 | 分子名称: | 3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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7K6Z
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![BU of 7k6z by Molmil](/molmil-images/mine/7k6z) | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-fluorophenyl)ureido)ethylsulfonamido)benzenesulfonamide | 分子名称: | 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, Singh, S, McKenna, R. | 登録日 | 2020-09-21 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.657 Å) | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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