7AW1

MerTK kinase domain in complex with a type 2 inhibitor

Summary for 7AW1

• Entry DOI: 10.2210/pdb7aw1/pdb
• Descriptor: Tyrosine-protein kinase Mer, N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide (3 entities in total)
• Functional Keywords: tyrosine kinase, inhibitor, type2 kinase inhibitor, structure-based drug design, high-throughput screening, oncology, signaling protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 34974.33

Authors

Schimpl, M.,Nissink, J.W.M.,Blackett, C.,Goldberg, K.,Hennessy, E.J.,Hardaker, E.,McCoull, W.,McMurray, L.,Collingwood, O.,Overman, R.,Pflug, A.,Preston, M.,Rawlins, P.,Rivers, E.,Smith, P.,Underwood, E.,Truman, C.,Warwicker, J.,Winter, J.,Woodcock, S. (deposition date: 2020-11-06, release date: 2021-03-03, Last modification date: 2021-04-07)

• Primary citation: Nissink, J.W.M.,Bazzaz, S.,Blackett, C.,Clark, M.A.,Collingwood, O.,Disch, J.S.,Gikunju, D.,Goldberg, K.,Guilinger, J.P.,Hardaker, E.,Hennessy, E.J.,Jetson, R.,Keefe, A.D.,McCoull, W.,McMurray, L.,Olszewski, A.,Overman, R.,Pflug, A.,Preston, M.,Rawlins, P.B.,Rivers, E.,Schimpl, M.,Smith, P.,Truman, C.,Underwood, E.,Warwicker, J.,Winter-Holt, J.,Woodcock, S.,Zhang, Y.; Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.; J.Med.Chem., 64:3165-3184, 2021; PubMed: 33683117; DOI: 10.1021/acs.jmedchem.0c01904

Experimental method

X-RAY DIFFRACTION (1.98 Å)