5MZ3

P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide]

Summary for 5MZ3

• Entry DOI: 10.2210/pdb5mz3/pdb
• Descriptor: Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide (3 entities in total)
• Functional Keywords: kinase, inhibitor, phosphotransferase, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 42897.79

Authors

Cowan-Jacob, S.W.,Scheufler, C. (deposition date: 2017-01-30, release date: 2017-11-15, Last modification date: 2024-05-08)

Primary citation

Smith, A.,Ni, Z.J.,Poon, D.,Huang, Z.,Chen, Z.,Zhang, Q.,Tandeske, L.,Merritt, H.,Shoemaker, K.,Chan, J.,Kaufman, S.,Huh, K.,Murray, J.,Appleton, B.A.,Cowan-Jacob, S.W.,Scheufler, C.,Kanazawa, T.,Jansen, J.M.,Stuart, D.,Shafer, C.M.
Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27:5221-5224, 2017

PubMed Abstract: A series of imidazo[1,2-a]pyridin-6-yl-benzamide analogs was designed as inhibitors of B-RAF. Medicinal chemistry techniques were employed to explore the SAR for this series and improve selectivity versus P38 and VEGFR2.

PubMed: 29107542
DOI: 10.1016/j.bmcl.2017.10.047

Experimental method

X-RAY DIFFRACTION (2.15 Å)