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Target
Tyrosine-protein kinase ABL1
Ligand
BDBM50378806
Substrate
n/a
Meas. Tech.
ChEMBL_652025 (CHEMBL1227835)
Ki
40±n/a nM
Citation
 Kraus, GA; Gupta, V; Mokhtarian, M; Mehanovic, S; Nilsen-Hamilton, M New effective inhibitors of the Abelson kinase. Bioorg Med Chem 18:6316-21 (2010) [PubMed]  Article 
Target
Name:
Tyrosine-protein kinase ABL1
Synonyms:
ABL | ABL1 | ABL1_HUMAN | Abelson murine leukemia viral oncogene homolog 1 | JTK7 | Proto-oncogene c-Abl | Proto-oncogene tyrosine-protein kinase ABL1 | Tyrosine-protein kinase (ABL) | Tyrosine-protein kinase ABL | Tyrosine-protein kinase ABL1 (ABL) | V-abl Abelson murine leukemia viral oncogene homolog 1 | c-ABL | p150 | tyrosine-protein kinase ABL1 isoform a
Type:
Enzyme
Mol. Mass.:
122897.30
Organism:
Homo sapiens (Human)
Description:
P00519
Residue:
1130
Sequence:
MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKQGVRGAVSTLLQAPELPTKTRTSRRAAEHRDTTDVPEMPHSKGQGESDPLDHEPAVSPLLPRKERGPPEGGLNEDERLLPKDKKTNLFSALIKKKKKTAPTPPKRSSSFREMDGQPERRGAGEEEGRDISNGALAFTPLDTADPAKSPKPSNGAGVPNGALRESGGSGFRSPHLWKKSSTLTSSRLATGEEEGGGSSSKRFLRSCSASCVPHGAKDTEWRSVTLPRDLQSTGRQFDSSTFGGHKSEKPALPRKRAGENRSDQVTRGTVTPPPRLVKKNEEAADEVFKDIMESSPGSSPPNLTPKPLRRQVTVAPASGLPHKEEAGKGSALGTPAAAEPVTPTSKAGSGAPGGTSKGPAEESRVRRHKHSSESPGRDKGKLSRLKPAPPPPPAASAGKAGGKPSQSPSQEAAGEAVLGAKTKATSLVDAVNSDAAKPSQPGEGLKKPVLPATPKPQSAKPSGTPISPAPVPSTLPSASSALAGDQPSSTAFIPLISTRVSLRKTRQPPERIASGAITKGVVLDSTEALCLAISRNSEQMASHSAVLEAGKNLYTFCVSYVDSIQQMRNKFAFREAINKLENNLRELQICPATAGSGPAATQDFSKLLSSVKEISDIVQR
  
Inhibitor
Name:
BDBM50378806
Synonyms:
CHEMBL1223411
Type:
Small organic molecule
Emp. Form.:
C21H17F2N5O
Mol. Mass.:
393.3894
SMILES:
Cn1c2nc(NCc3cccc(N)c3)ncc2cc(-c2c(F)cccc2F)c1=O |(4.09,-13.59,;4.09,-12.05,;2.77,-11.29,;1.44,-12.06,;.11,-11.29,;-1.22,-12.06,;-2.56,-11.3,;-3.89,-12.07,;-3.88,-13.62,;-5.22,-14.39,;-6.55,-13.62,;-6.55,-12.08,;-7.88,-11.31,;-5.22,-11.31,;.1,-9.76,;1.42,-8.98,;2.77,-9.74,;4.1,-8.97,;5.43,-9.75,;6.76,-8.98,;6.76,-7.45,;5.43,-6.68,;8.09,-6.68,;9.43,-7.45,;9.43,-8.99,;8.09,-9.76,;8.09,-11.3,;5.43,-11.29,;6.76,-12.06,)|
Structure:
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