7OLV

MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group

Summary for 7OLV

• Entry DOI: 10.2210/pdb7olv/pdb
• Related: 7OLS
• Descriptor: Tyrosine-protein kinase Mer, 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, ... (5 entities in total)
• Functional Keywords: tyrosine kinase inhibitor, structure-based drug design, type 1.5 inhibitor, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 35040.18

Authors

Pflug, A.,Schimpl, M.,McCoull, W.,Nissink, J.W.M.,Winter-Holt, J. (deposition date: 2021-05-20, release date: 2021-09-15, Last modification date: 2024-01-31)

• Primary citation: McCoull, W.,Boyd, S.,Brown, M.R.,Coen, M.,Collingwood, O.,Davies, N.L.,Doherty, A.,Fairley, G.,Goldberg, K.,Hardaker, E.,He, G.,Hennessy, E.J.,Hopcroft, P.,Hodgson, G.,Jackson, A.,Jiang, X.,Karmokar, A.,Laine, A.L.,Lindsay, N.,Mao, Y.,Markandu, R.,McMurray, L.,McLean, N.,Mooney, L.,Musgrove, H.,Nissink, J.W.M.,Pflug, A.,Reddy, V.P.,Rawlins, P.B.,Rivers, E.,Schimpl, M.,Smith, G.F.,Tentarelli, S.,Travers, J.,Troup, R.I.,Walton, J.,Wang, C.,Wilkinson, S.,Williamson, B.,Winter-Holt, J.,Yang, D.,Zheng, Y.,Zhu, Q.,Smith, P.D.; Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.; J.Med.Chem., 64:13524-13539, 2021; PubMed: 34478292; DOI: 10.1021/acs.jmedchem.1c00920

Experimental method

X-RAY DIFFRACTION (2.13 Å)