2H8H

Src kinase in complex with a quinazoline inhibitor

Summary for 2H8H

DescriptorProto-oncogene tyrosine-protein kinase Src, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE (3 entities in total)
Functional Keywordssrc kinase, transferase
Biological sourceHomo sapiens (human)
Cellular locationCell membrane P12931
Total number of polymer chains1
Total molecular weight60397.38
Authors
Otterbein, L.R.,Norman, R.,Pauptit, R.A.,Rowsell, S.,Breed, J. (deposition date: 2006-06-07, release date: 2006-11-21, Last modification date: 2015-07-01)
Primary citation
Hennequin, L.F.,Allen, J.,Breed, J.,Curwen, J.,Fennell, M.,Green, T.P.,Lambert-van der Brempt, C.,Morgentin, R.,Norman, R.A.,Olivier, A.,Otterbein, L.,Ple, P.A.,Warin, N.,Costello, G.
N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor.
J.Med.Chem., 49:6465-6488, 2006
PubMed: 17064066 (PDB entries with the same primary citation)
DOI: 10.1021/jm060434q
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.2 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.278404.2%3.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution