Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM317003
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
>10000±n/a nM
Citation
 Ibrahim, PN; Spevak, W; Cho, H; Shi, S; Zhang, C; Zhang, Y Compounds and methods for kinase modulation, and indications therefor US Patent  US9617267 Publication Date 4/11/2017 
Target
Name:
Cytochrome P450 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM317003
Synonyms:
N-{2,4-Difluoro-3-[4- (tetrahydro-furan-3-ylamino)- 7H-pyrrolo[2,3-d]pyrimidine- 5-carbonyl]-phenyl}-4- trifluoromethyl- benzenesulfonamide | US9617267, Compound P-1054
Type:
Small organic molecule
Emp. Form.:
C24H18F5N5O4S
Mol. Mass.:
567.488
SMILES:
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CCOC3)c12
Structure:
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