Reaction Details 
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Cytochrome P450 3A4
Ligand
BDBM50249434
Substrate
n/a
Meas. Tech.
ChEBML_1679938
IC50
24000±n/a nM
Citation
Melancon, BJ; Wood, MR; Noetzel, MJ; Nance, KD; Engelberg, EM; Han, C; Lamsal, A; Chang, S; Cho, HP; Byers, FW; Bubser, M; Jones, CK; Niswender, CM; Wood, MW; Engers, DW; Wu, D; Brandon, NJ; Duggan, ME; Conn, PJ; Bridges, TM; Lindsley, CW Optimization of M Bioorg Med Chem Lett 27:2296-2301 (2017) [PubMed] ArticleMore 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:
BDBM50249434
Synonyms:
CHEMBL4094439
Type:
Small organic molecule
Emp. Form.:
C21H18FN5OS
Mol. Mass.:
407.464
SMILES:
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccnc(F)c3)c(N)c2c1C
Structure:
