Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50388471
Substrate
n/a
Meas. Tech.
ChEMBL_829955 (CHEMBL2061660)
IC50
>10000±n/a nM
Citation
 Ren, F; Deng, G; Wang, H; Luan, L; Meng, Q; Xu, Q; Xu, H; Xu, X; Zhang, H; Zhao, B; Li, C; Guo, TB; Yang, J; Zhang, W; Zhao, Y; Jia, Q; Lu, H; Xiang, JN; Elliott, JD; Lin, X Discovery of novel 1,2,4-thiadiazole derivatives as potent, orally active agonists of sphingosine 1-phosphate receptor subtype 1 (S1P(1)). J Med Chem 55:4286-96 (2012) [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:
BDBM50388471
Synonyms:
CHEMBL2057282
Type:
Small organic molecule
Emp. Form.:
C27H32ClN3O3S
Mol. Mass.:
514.079
SMILES:
CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: