Reaction Details
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Cytochrome P450 3A4
Ligand
BDBM50317630
Substrate
n/a
Meas. Tech.
ChEMBL_632903 (CHEMBL1107485)
IC50
>7500±n/a nM
Citation
Goodnow, RA; Hicks, A; Sidduri, A; Kowalczyk, A; Dominique, R; Qiao, Q; Lou, JP; Gillespie, P; Fotouhi, N; Tilley, J; Cohen, N; Choudhry, S; Cavallo, G; Tannu, SA; Ventre, JD; Lavelle, D; Tare, NS; Oh, H; Lamb, M; Kurylko, G; Hamid, R; Wright, MB; Pamidimukkala, A; Egan, T; Gubler, U; Hoffman, AF; Wei, X; Li, YL; O'Neil, J; Marcano, R; Pozzani, K; Molinaro, T; Santiago, J; Singer, L; Hargaden, M; Moore, D; Catala, AR; Chao, LC; Hermann, G; Venkat, R; Mancebo, H; Renzetti, LM Discovery of novel and potent leukotriene B4 receptor antagonists. Part 1. J Med Chem 53:3502-16 (2010) [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:
BDBM50317630
Synonyms:
4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-2'-fluorobiphenyl-3-yloxy)hexyl)-2-(2-carboxyethyl)phenoxy)butanoic acid | CHEMBL1094349
Type:
Small organic molecule
Emp. Form.:
C38H39FO8
Mol. Mass.:
642.7099
SMILES:
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccccc2F)-c2ccc3OCOc3c2)c1CCC(O)=O
Structure:
