9BHI

Crystal structure of the MerTK kinase domain with SA4488

This is a non-PDB format compatible entry.

Summary for 9BHI

• Entry DOI: 10.2210/pdb9bhi/pdb
• Descriptor: Mer tyrosine kinase domain, (5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: receptor tyrosine kinase, atp competitive inhibitor, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 38113.72

Authors

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

• Primary citation: Yu, Y.,Jang, M.,Miyashiro, J.,Clark, R.F.,Zhu, G.D.,Gong, J.,Dai, Y.,Frey, R.R.,Penning, T.D.,Kim, H.,Lee, H.K.,Kim, J.K.,Ryu, K.M.,Park, S.J.,Yoon, T.,Li, T.,Kurnick, M.D.,Kapecki, N.J.,Li, L.,Gorman, J.V.,Montgomery, D.A.,Manaves, V.,Bromberg, K.D.,Doktor, S.Z.,Thakur, A.,Wang, J.,Smith, H.A.,Buchanan, F.G.,Ferguson, D.C.,Torrent, M.,Jakob, C.G.,Qiu, W.,Upadhyay, A.K.,Martin, R.L.,Lai, A.,Michaelides, M.R.; Discovery of A-910, a Highly Potent and Orally Bioavailable Dual MerTK/Axl-Selective Tyrosine Kinase Inhibitor.; J.Med.Chem., 2024; PubMed: 39283694; DOI: 10.1021/acs.jmedchem.4c01450

Experimental method

X-RAY DIFFRACTION (2.07 Å)