6DQ8

LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid

Summary for 6DQ8

• Entry DOI: 10.2210/pdb6dq8/pdb
• Descriptor: Linked KDM5A Jmj Domain, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ... (8 entities in total)
• Functional Keywords: demethylase inhibition, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 39176.07

Authors

Horton, J.R.,Cheng, X. (deposition date: 2018-06-10, release date: 2018-11-21, Last modification date: 2023-10-11)

• Primary citation: Horton, J.R.,Woodcock, C.B.,Chen, Q.,Liu, X.,Zhang, X.,Shanks, J.,Rai, G.,Mott, B.T.,Jansen, D.J.,Kales, S.C.,Henderson, M.J.,Cyr, M.,Pohida, K.,Hu, X.,Shah, P.,Xu, X.,Jadhav, A.,Maloney, D.J.,Hall, M.D.,Simeonov, A.,Fu, H.,Vertino, P.M.,Cheng, X.; Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.; J. Med. Chem., 61:10588-10601, 2018; PubMed: 30392349; DOI: 10.1021/acs.jmedchem.8b01219

Experimental method

X-RAY DIFFRACTION (1.46 Å)