Reaction Details
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Cytochrome P450 3A4
Ligand
BDBM50059435
Substrate
n/a
Meas. Tech.
ChEMBL_1460913 (CHEMBL3396733)
Ki
990±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:
BDBM50059435
Synonyms:
CHEMBL3393498
Type:
Small organic molecule
Emp. Form.:
C27H24N4O4
Mol. Mass.:
468.5039
SMILES:
CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:10|
Structure:
