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Target
Cytochrome P450 3A4
Ligand
BDBM25761
Substrate
n/a
Meas. Tech.
ChEMBL_1539174 (CHEMBL3738818)
IC50
<10000±n/a nM
Citation
 Rombouts, FJ; Tovar, F; Austin, N; Tresadern, G; Trabanco, AA Benzazaborinines as Novel Bioisosteric Replacements of Naphthalene: Propranolol as an Example. J Med Chem 58:9287-95 (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:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM25761
Synonyms:
Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-) | PROPRANOLOL, d | PROPRANOLOL, l- | PROPRANOLOL,(+) | PROPRANOLOL,(-) | Propanolol | Propanolol,(+/-) | Propranolol | [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine
Type:
Small organic molecule
Emp. Form.:
C16H21NO2
Mol. Mass.:
259.3434
SMILES:
CC(C)NCC(O)COc1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: