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Target
Tyrosine-protein kinase ABL1
Ligand
BDBM50325999
Substrate
n/a
Meas. Tech.
ChEMBL_1765483 (CHEMBL4200730)
IC50
9.0±n/a nM
Citation
 Schoepfer, J; Jahnke, W; Berellini, G; Buonamici, S; Cotesta, S; Cowan-Jacob, SW; Dodd, S; Drueckes, P; Fabbro, D; Gabriel, T; Groell, JM; Grotzfeld, RM; Hassan, AQ; Henry, C; Iyer, V; Jones, D; Lombardo, F; Loo, A; Manley, PW; Pellé, X; Rummel, G; Salem, B; Warmuth, M; Wylie, AA; Zoller, T; Marzinzik, AL; Furet, P Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1. J Med Chem 61:8120-8135 (2018) [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:
Human
Description:
P00519
Residue:
1130
Sequence:
MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKQGVRGAVSTLLQAPELPTKTRTSRRAAEHRDTTDVPEMPHSKGQGESDPLDHEPAVSPLLPRKERGPPEGGLNEDERLLPKDKKTNLFSALIKKKKKTAPTPPKRSSSFREMDGQPERRGAGEEEGRDISNGALAFTPLDTADPAKSPKPSNGAGVPNGALRESGGSGFRSPHLWKKSSTLTSSRLATGEEEGGGSSSKRFLRSCSASCVPHGAKDTEWRSVTLPRDLQSTGRQFDSSTFGGHKSEKPALPRKRAGENRSDQVTRGTVTPPPRLVKKNEEAADEVFKDIMESSPGSSPPNLTPKPLRRQVTVAPASGLPHKEEAGKGSALGTPAAAEPVTPTSKAGSGAPGGTSKGPAEESRVRRHKHSSESPGRDKGKLSRLKPAPPPPPAASAGKAGGKPSQSPSQEAAGEAVLGAKTKATSLVDAVNSDAAKPSQPGEGLKKPVLPATPKPQSAKPSGTPISPAPVPSTLPSASSALAGDQPSSTAFIPLISTRVSLRKTRQPPERIASGAITKGVVLDSTEALCLAISRNSEQMASHSAVLEAGKNLYTFCVSYVDSIQQMRNKFAFREAINKLENNLRELQICPATAGSGPAATQDFSKLLSSVKEISDIVQR
  
Inhibitor
Name:
BDBM50325999
Synonyms:
3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-yl)benzamide | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide | CHEMBL483847 | US11649218, Example GNF-2 | [3-(6)-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzamide]
Type:
Small organic molecule
Emp. Form.:
C18H13F3N4O2
Mol. Mass.:
374.3166
SMILES:
NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Structure:
Search PDB for entries with ligand similarity: