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Target
Cytochrome P450 3A4
Ligand
BDBM50240278
Substrate
n/a
Meas. Tech.
ChEMBL_1667937 (CHEMBL4017825)
IC50
>50000±n/a nM
Citation
 Roecker, AJ; Egbertson, M; Jones, KLG; Gomez, R; Kraus, RL; Li, Y; Koser, AJ; Urban, MO; Klein, R; Clements, M; Panigel, J; Daley, C; Wang, J; Finger, EN; Majercak, J; Santarelli, V; Gregan, I; Cato, M; Filzen, T; Jovanovska, A; Wang, YH; Wang, D; Joyce, LA; Sherer, EC; Peng, X; Wang, X; Sun, H; Coleman, PJ; Houghton, AK; Layton, ME Discovery of selective, orally bioavailable, N-linked arylsulfonamide Na Bioorg Med Chem Lett 27:2087-2093 (2017) [PubMed]  Article 
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:
BDBM50240278
Synonyms:
CHEMBL4062780
Type:
Small organic molecule
Emp. Form.:
C19H24ClFN4O2S2
Mol. Mass.:
459.001
SMILES:
CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
Structure:
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