4DCE

Crystal structure of human anaplastic lymphoma kinase in complex with a piperidine-carboxamide inhibitor

Summary for 4DCE

Entry DOI	10.2210/pdb4dce/pdb
Descriptor	ALK tyrosine kinase receptor, (3S)-N-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide (3 entities in total)
Functional Keywords	receptor tyrosine kinase, inhibitor, npm-alk, eml4-alk, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cell membrane ; Single-pass type I membrane protein : Q9UM73
Total number of polymer chains	2
Total formula weight	76119.43
Authors	Whittington, D.A.,Epstein, L.F.,Chen, H. (deposition date: 2012-01-17, release date: 2012-02-08, Last modification date: 2024-04-03)
Primary citation	Bryan, M.C.,Whittington, D.A.,Doherty, E.M.,Falsey, J.R.,Cheng, A.C.,Emkey, R.,Brake, R.L.,Lewis, R.T. Rapid development of piperidine carboxamides as potent and selective anaplastic lymphoma kinase inhibitors. J.Med.Chem., 55:1698-1705, 2012 Cited by PubMed: 22263917 DOI: 10.1021/jm201565s PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.03 Å)

Structure validation