Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase transforming protein Abl
Ligand
BDBM3022
Substrate
n/a
Meas. Tech.
Kinase Inhibition Assay
IC50
3760±n/a nM
Citation
 Traxler, P; Bold, G; Frei, J; Lang, M; Lydon, N; Mett, H; Buchdunger, E; Meyer, T; Mueller, M; Furet, P Use of a pharmacophore model for the design of EGF-R tyrosine kinase inhibitors: 4-(phenylamino)pyrazolo[3,4-d]pyrimidines. J Med Chem 40:3601-16 (1997) [PubMed]  Article 
Target
Name:
Tyrosine-protein kinase transforming protein Abl
Synonyms:
ABL | ABL_MLVAB | Tyrosine-protein kinase V-ABL
Type:
Enzyme
Mol. Mass.:
81895.89
Organism:
Abelson murine leukemia virus
Description:
P00521
Residue:
746
Sequence:
YITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTIYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVSAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKRGTRGGAGSMLQAPELPTKTRTCRRAAEQKASPPSLTPKLLRRQVTASPSSGLSHKKEATKGSASGMGTPATAEPAPPSNKVGLSKASSEEMRVRRHKHSSESPGRDKGRLAKLKPAPPPPPACTGKAGKPAQSPSQEAGEAGGPTKTKCTSLAMDAVNTDPTKAGPPGEGLRKPVPPSVPKPQSTAKPPGTPTSPVSTPSTAPAPSPLAGDQQPSSAAFIPLISTRVSLRKTRQPPERIASGTITKGVVLDSTEALCLAISRNSEQMASHSAVLEAGKNLYTFCVSYVDSIQQMRNKFAFREAINKLESNLRELQICPATASSGPAATQDFSKLLSSVKEISDIVRR
  
Inhibitor
Name:
BDBM3022
Synonyms:
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 23 | N-(3-chlorophenyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Type:
Small organic molecule
Emp. Form.:
C17H12ClN5
Mol. Mass.:
321.764
SMILES:
Clc1cccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)c1
Structure:
Search PDB for entries with ligand similarity: