Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase ABL1
Ligand
BDBM50378803
Substrate
n/a
Meas. Tech.
ChEMBL_652025 (CHEMBL1227835)
Ki
8±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:
BDBM50378803
Synonyms:
CHEMBL1223343
Type:
Small organic molecule
Emp. Form.:
C21H17Cl2N5O
Mol. Mass.:
426.299
SMILES:
Cn1c2nc(NCc3cccc(N)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.87,-2.98,;2.87,-1.44,;1.55,-.68,;.22,-1.45,;-1.11,-.68,;-2.44,-1.45,;-3.78,-.69,;-5.11,-1.46,;-5.1,-3.01,;-6.44,-3.78,;-7.77,-3.01,;-7.77,-1.47,;-9.1,-.7,;-6.44,-.7,;-1.12,.85,;.2,1.63,;1.55,.87,;2.88,1.64,;4.21,.86,;5.54,1.63,;5.54,3.16,;4.21,3.93,;6.87,3.93,;8.21,3.16,;8.21,1.62,;6.87,.85,;6.87,-.69,;4.21,-.68,;5.54,-1.45,)|
Structure:
Search PDB for entries with ligand similarity: