5V9T

Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48)

Summary for 5V9T

• Entry DOI: 10.2210/pdb5v9t/pdb
• Related: 5CEH 5V9P
• Descriptor: Lysine-specific demethylase 5A, NICKEL (II) ION, ZINC ION, ... (6 entities in total)
• Functional Keywords: histone demethylase, kdm5, kdm5a, epigenetics, cancer, selective, inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (Human); More
• Cellular location: Nucleus, nucleolus : P29375
• Total number of polymer chains: 3
• Total formula weight: 183236.68

Authors

Kiefer, J.R.,Liang, J.,Vinogradova, M. (deposition date: 2017-03-23, release date: 2017-05-10, Last modification date: 2023-10-04)

• Primary citation: Liang, J.,Labadie, S.,Zhang, B.,Ortwine, D.F.,Patel, S.,Vinogradova, M.,Kiefer, J.R.,Mauer, T.,Gehling, V.S.,Harmange, J.C.,Cummings, R.,Lai, T.,Liao, J.,Zheng, X.,Liu, Y.,Gustafson, A.,Van der Porten, E.,Mao, W.,Liederer, B.M.,Deshmukh, G.,An, L.,Ran, Y.,Classon, M.,Trojer, P.,Dragovich, P.S.,Murray, L.; From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.; Bioorg. Med. Chem. Lett., 27:2974-2981, 2017; PubMed: 28512031; DOI: 10.1016/j.bmcl.2017.05.016

Experimental method

X-RAY DIFFRACTION (3.05 Å)