Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50147618
Substrate
n/a
Meas. Tech.
ChEMBL_1553516 (CHEMBL3768883)
IC50
6000±n/a nM
Citation
 Chupak, LS; Zheng, X; Hu, S; Huang, Y; Ding, M; Lewis, MA; Westphal, RS; Blat, Y; McClure, A; Gentles, RG Structure activity relationship studies on chemically non-reactive glycine sulfonamide inhibitors of diacylglycerol lipase. Bioorg Med Chem 24:1455-68 (2016) [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:
BDBM50147618
Synonyms:
CHEMBL3765022
Type:
Small organic molecule
Emp. Form.:
C26H22F5NO6S
Mol. Mass.:
571.513
SMILES:
OC(=O)CN(C1(CCC1)c1ccc(cc1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
Structure:
Search PDB for entries with ligand similarity: