Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM25761
Substrate
n/a
Meas. Tech.
ChEMBL_1539177 (CHEMBL3738821)
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 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
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: