Target
Tyrosine-protein kinase ABL1 [1-999,Q252H]
Ligand
BDBM68217
Substrate
n/a
Meas. Tech.
Biochemcial Assay
pH
7.5±0
IC50
5.8±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:
BDBM68217
Synonyms:
Type I progenitor, 11
Type:
Small organic molecule
Emp. Form.:
C22H18Cl2N4O2
Mol. Mass.:
441.31
SMILES:
CC(O)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-1.06,-4.07,;-1.06,-2.53,;-2.39,-1.76,;.28,-1.76,;1.61,-2.53,;2.94,-1.76,;2.94,-.22,;1.61,.55,;1.61,2.09,;2.94,2.86,;2.94,4.4,;4.28,5.17,;5.61,4.4,;6.94,5.17,;8.28,4.4,;9.61,5.17,;9.61,6.71,;8.28,7.48,;10.94,7.48,;12.28,6.71,;12.28,5.17,;10.94,4.4,;10.94,2.86,;8.28,2.86,;9.61,2.09,;6.94,2.09,;6.94,.55,;5.61,2.86,;4.28,2.09,;.28,-.22,)|
Structure:
Search PDB for entries with ligand similarity: