Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase transforming protein Abl
Ligand
BDBM3015
Substrate
n/a
Meas. Tech.
Kinase Inhibition Assay
IC50
>10000±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:
BDBM3015
Synonyms:
3-((4-(N-BOC-amino)phenyl)amino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine | 4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 16 | tert-butyl N-[4-({4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}amino)phenyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C22H22ClN7O2
Mol. Mass.:
451.909
SMILES:
CC(C)(C)OC(=O)Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Structure:
Search PDB for entries with ligand similarity: