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Target
Cytochrome P450 3A4
Ligand
BDBM21160
Substrate
BDBM21150
Meas. Tech.
CYP3A4 Enzyme Inhibition Assay
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
71±10 nM
Citation
 Ahlström, MM; Zamora, I Characterization of Type II Ligands in CYP2C9 and CYP3A4. J Med Chem 51:1755-1763 (2008) [PubMed]  Article 
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:
BDBM21160
Synonyms:
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine | Pyridine-based ligand, 11
Type:
Small organic molecule
Emp. Form.:
C21H18N6
Mol. Mass.:
354.4078
SMILES:
Cc1cnc(CNc2cc(nc(n2)-c2ccncc2)-c2ccccc2)nc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21150
Synonyms:
7-(benzyloxy)-4-(trifluoromethyl)-2H-chromen-2-one | 7-BFC | 7-benzyloxy-4-trifluoromethylcoumarin | BFC
Type:
Small organic molecule
Emp. Form.:
C17H11F3O3
Mol. Mass.:
320.2626
SMILES:
FC(F)(F)c1cc(=O)oc2cc(OCc3ccccc3)ccc12
Structure:
Search PDB for entries with ligand similarity: