Reaction Details
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Cytochrome P450 3A4
Ligand
BDBM50552934
Substrate
n/a
Meas. Tech.
ChEMBL_2035531 (CHEMBL4689689)
IC50
20000±n/a nM
Citation
Li, D; Deng, Y; Achab, A; Bharathan, I; Hopkins, BA; Yu, W; Zhang, H; Sanyal, S; Pu, Q; Zhou, H; Liu, K; Lim, J; Fradera, X; Lesburg, CA; Lammens, A; Martinot, TA; Cohen, RD; Doty, AC; Ferguson, H; Nickbarg, EB; Cheng, M; Spacciapoli, P; Geda, P; Song, X; Smotrov, N; Abeywickrema, P; Andrews, C; Chamberlin, C; Mabrouk, O; Curran, P; Richards, M; Saradjian, P; Miller, JR; Knemeyer, I; Otte, KM; Vincent, S; Sciammetta, N; Pasternak, A; Bennett, DJ; Han, Y Carbamate and ACS Med Chem Lett 12:389-396 (2021) [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:
BDBM50552934
Synonyms:
CHEMBL4744727
Type:
Small organic molecule
Emp. Form.:
C24H21ClFN3O2
Mol. Mass.:
437.894
SMILES:
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)c1cccc(Cl)c1 |r|
Structure:
