6M95

Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1

Summary for 6M95

Entry DOI	10.2210/pdb6m95/pdb
Descriptor	Mitogen-activated protein kinase 14, (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone (3 entities in total)
Functional Keywords	p38 map kinase inhibitors, sbdd, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	45044.17
Authors	Lane, W.,Okada, K. (deposition date: 2018-08-22, release date: 2019-04-17, Last modification date: 2024-03-13)
Primary citation	Kaieda, A.,Takahashi, M.,Fukuda, H.,Okamoto, R.,Morimoto, S.,Gotoh, M.,Miyazaki, T.,Hori, Y.,Unno, S.,Kawamoto, T.,Tanaka, T.,Itono, S.,Takagi, T.,Sugimoto, H.,Okada, K.,Snell, G.,Bertsch, R.,Nguyen, J.,Sang, B.C.,Miwatashi, S. Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14:1022-1030, 2019 Cited by PubMed: 30945818 DOI: 10.1002/cmdc.201900129 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation