Target
Tyrosine-protein kinase ABL1 [1-999,Q252H]
Ligand
BDBM50242740
Substrate
n/a
Meas. Tech.
Biochemcial Assay
pH
7.5±0
IC50
8.0±0.0 nM
Citation
 Okram, BNagle, AAdrián, FJLee, CRen, PWang, XSim, TXie, YWang, XXia, GSpraggon, GWarmuth, MLiu, YGray, NS A general strategy for creating "inactive-conformation" abl inhibitors. Chem Biol 13:779-86 (2006) [PubMed]  Article 
Target
Name:
Tyrosine-protein kinase ABL1 [1-999,Q252H]
Synonyms:
ABL | ABL1 | ABL1(Q252H) | ABL1_HUMAN | JTK7 | Tyrosine-protein kinase ABL (Phosphorylated) | Tyrosine-protein kinase ABL (dephosphorylated)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
108590.01
Organism:
Homo sapiens (Human)
Description:
gi_62362414
Residue:
999
Sequence:
MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGHYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKQGVRGAVSTLLQAPELPTKTRTSRRAAEHRDTTDVPEMPHSKGQGESDPLDHEPAVSPLLPRKERGPPEGGLNEDERLLPKDKKTNLFSALIKKKKKTAPTPPKRSSSFREMDGQPERRGAGEEEGRDISNGALAFTPLDTADPAKSPKPSNGAGVPNGALRESGGSGFRSPHLWKKSSTLTSSRLATGEEEGGGSSSKRFLRSCSASCVPHGAKDTEWRSVTLPRDLQSTGRQFDSSTFGGHKSEKPALPRKRAGENRSDQVTRGTVTPPPRLVKKNEEAADEVFKDIMESSPGSSPPNLTPKPLRRQVTVAPASGLPHKEEAGKGSALGTPAAAEPVTPTSKAGSGAPGGTSKGPAEESRVRRHKHSSESPGRDKGKLSRLKPAPPPPPAASAGKAGGKPSQSPSQEAAGEAVLGAKTKATSLVDAVNSDAAKPSQPGEGLKKPVLPATPKPQSAKPSGTPISPAPVPSTLPSASSALAGDQPSS
  
Inhibitor
Name:
BDBM50242740
Synonyms:
CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide | Type II inhibitor, 14
Type:
Small organic molecule
Emp. Form.:
C22H19F3N6O2
Mol. Mass.:
456.4205
SMILES:
CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Structure:
Search PDB for entries with ligand similarity: