9C1R

Crystal structure of mutant cMET D1228N kinase domain in complex with inhibitor compound 13

This is a non-PDB format compatible entry.

Summary for 9C1R

• Entry DOI: 10.2210/pdb9c1r/pdb
• Descriptor: Hepatocyte growth factor receptor, GLYCEROL, N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide, ... (4 entities in total)
• Functional Keywords: cmet kinase domain, signaling protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 35650.13

Authors

Simpson, H.,Wu, W.-I.,Mou, T.-C. (deposition date: 2024-05-29, release date: 2024-08-21, Last modification date: 2024-09-04)

• Primary citation: Bumpers, Q.A.,Pipal, R.W.,Benz-Weeden, A.M.,Brewster 2nd, J.T.,Cook, A.,Crooks, A.L.,Cruz, C.,Dwulet, N.C.,Gaudino, J.J.,Golec, D.,Harrison, J.A.,Hartley, D.P.,Hassanien, S.H.,Hicken, E.J.,Kahn, D.,Laird, E.R.,Lemieux, C.,Lewandowski, N.,McCown, J.,McDonald, M.G.,McNulty, O.,Mou, T.C.,Nguyen, P.,Oko, L.,Opie, L.P.,Otten, J.,Peck, S.C.,Polites, V.C.,Randall, S.D.,Rosen, R.Z.,Savechenkov, P.,Simpson, H.,Singh, A.,Sparks, D.,Wickersham, K.,Wollenberg, L.,Wong, C.E.,Wong, J.,Wu, W.I.,Elsayed, M.S.A.,Hinklin, R.J.,Tang, T.P.; Discovery of Pyrazolopyrazines as Selective, Potent, and Mutant-Active MET Inhibitors with Intracranial Efficacy.; J.Med.Chem., 67:14466-14477, 2024; PubMed: 39088797; DOI: 10.1021/acs.jmedchem.4c01232

Experimental method

X-RAY DIFFRACTION (1.59 Å)