Reaction Details
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Cytochrome P450 3A4
Ligand
BDBM50059447
Substrate
n/a
Meas. Tech.
ChEMBL_1460909 (CHEMBL3396729)
IC50
8400±n/a nM
Citation
Carry, JC; Clerc, F; Minoux, H; Schio, L; Mauger, J; Nair, A; Parmantier, E; Le Moigne, R; Delorme, C; Nicolas, JP; Krick, A; Abécassis, PY; Crocq-Stuerga, V; Pouzieux, S; Delarbre, L; Maignan, S; Bertrand, T; Bjergarde, K; Ma, N; Lachaud, S; Guizani, H; Lebel, R; Doerflinger, G; Monget, S; Perron, S; Gasse, F; Angouillant-Boniface, O; Filoche-Rommé, B; Murer, M; Gontier, S; Prévost, C; Monteiro, ML; Combeau, C SAR156497, an exquisitely selective inhibitor of aurora kinases. J Med Chem 58:362-75 (2015) [PubMed] Article More Info.:
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:
BDBM50059447
Synonyms:
CHEMBL3393476
Type:
Small organic molecule
Emp. Form.:
C25H20F2N4O4S
Mol. Mass.:
510.513
SMILES:
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
Structure:
