9BHJ

MerTK in complex with small molecule 6-{1-[([1,1'-biphenyl]-4-yl)carbamoyl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide

This is a non-PDB format compatible entry.

Summary for 9BHJ

• Entry DOI: 10.2210/pdb9bhj/pdb
• Descriptor: Tyrosine-protein kinase Mer, 6-{1-[([1,1'-biphenyl]-4-yl)carbamoyl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: kinase atp competitive inhibitor, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 37946.44

Authors

Jakob, C.G.,Qiu, W. (deposition date: 2024-04-20, release date: 2024-10-09)

• Primary citation: Frey, R.R.,Jana, N.,Gorman, J.V.,Wang, J.,Smith, H.A.,Bromberg, K.D.,Thakur, A.,Doktor, S.Z.,Indulkar, A.S.,Jakob, C.G.,Upadhyay, A.K.,Qiu, W.,Manaves, V.,Gambino Jr., F.,Valentino, S.A.,Montgomery, D.,Zhou, Y.,Li, T.,Buchanan, F.G.,Ferguson, D.C.,Kurnick, M.D.,Kapecki, N.,Lai, A.,Michaelides, M.R.,Penning, T.D.; Discovery of Potent Azetidine-Benzoxazole MerTK Inhibitors with In Vivo Target Engagement.; J.Med.Chem., 2024; PubMed: 39350472; DOI: 10.1021/acs.jmedchem.4c01451

Experimental method

X-RAY DIFFRACTION (2.294 Å)