Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase ABL1 [64-515]
Ligand
BDBM477676
Substrate
n/a
Meas. Tech.
Biochemical Kinase Assay
IC50
0.340±n/a nM
Citation
 Romero, FA; Kirschberg, TA; Halcomb, R; Xu, Y Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias US Patent  US10889571 Publication Date 1/12/2021 
Target
Name:
Tyrosine-protein kinase ABL1 [64-515]
Synonyms:
ABL | ABL1 | ABL1_HUMAN | JTK7 | Tyrosine-protein kinase ABL1 | Tyrosine-protein kinase ABL1 (64-515) | Tyrosine-protein kinase ABL1 (ABL) | Tyrosine-protein kinase ABL1 (ABL1)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51539.77
Organism:
Homo sapiens (Human)
Description:
aa 64-515
Residue:
452
Sequence:
NLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKQGV
  
Inhibitor
Name:
BDBM477676
Synonyms:
N-(4-(chlorodifluoromethoxy)phenyl)-7-(4-fluoro-1H-pyrazol-5-yl)-1-isopropyl-1H-benzo[d]imidazole-5-carboxamide | US10889571, Example 17
Type:
Small organic molecule
Emp. Form.:
C29H25ClF3N5O3
Mol. Mass.:
583.989
SMILES:
COc1ccc(Cn2ncc(F)c2-c2cc(cc3ncn(C(C)C)c23)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1 |(-19.35,12.09,;-17.9,11.09,;-18.03,9.34,;-16.58,8.35,;-16.72,6.59,;-18.3,5.83,;-18.44,4.08,;-16.98,3.08,;-15.16,3.39,;-14.26,2.14,;-15.16,.9,;-14.77,-.59,;-16.63,1.37,;-18.69,.24,;-20.02,1.01,;-21.35,.24,;-21.35,-1.3,;-20.02,-2.07,;-19.7,-3.58,;-18.17,-3.74,;-17.54,-2.33,;-16.05,-1.93,;-14.96,-3.02,;-15.65,-.44,;-18.69,-1.3,;-22.69,1.01,;-22.69,2.55,;-24.02,.24,;-25.35,1.01,;-25.35,2.55,;-26.69,3.32,;-28.02,2.55,;-29.35,3.32,;-30.69,2.55,;-32.02,3.32,;-30.69,1.01,;-32.02,1.78,;-28.02,1.01,;-26.69,.24,;-19.76,6.82,;-19.62,8.58,)|
Structure:
Search PDB for entries with ligand similarity: