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Target
Cytochrome P450 3A4
Ligand
BDBM50598092
Substrate
n/a
Meas. Tech.
ChEMBL_2226222 (CHEMBL5139735)
IC50
>25000±n/a nM
Citation
 Fernandes, GFS; Thompson, AM; Castagnolo, D; Denny, WA; Dos Santos, JL Tuberculosis Drug Discovery: Challenges and New Horizons. J Med Chem 65:7489-7531 (2022) [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:
BDBM50598092
Synonyms:
CHEMBL4473719
Type:
Small organic molecule
Emp. Form.:
C30H30N6O
Mol. Mass.:
490.5988
SMILES:
CC(C)c1ccc(cc1)-c1nc(CN2CCN(CC2)c2ccnc3cc(ccc23)-c2cccnc2)no1
Structure:
Search PDB for entries with ligand similarity: