Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50499812
Substrate
n/a
Meas. Tech.
ChEMBL_1541425 (CHEMBL3743593)
IC50
>20000±n/a nM
Citation
 Ng, PS; Manjunatha, UH; Rao, SP; Camacho, LR; Ma, NL; Herve, M; Noble, CG; Goh, A; Peukert, S; Diagana, TT; Smith, PW; Kondreddi, RR Structure activity relationships of 4-hydroxy-2-pyridones: A novel class of antituberculosis agents. Eur J Med Chem 106:144-56 (2015) [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:
Human
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50499812
Synonyms:
CHEMBL3597017
Type:
Small organic molecule
Emp. Form.:
C15H17NO2
Mol. Mass.:
243.301
SMILES:
CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: