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Target
Cytochrome P450 2C8
Ligand
BDBM25761
Substrate
n/a
Meas. Tech.
ChEMBL_1539178 (CHEMBL3738822)
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 2C8
Synonyms:
CP2C8_HUMAN | CYP2C8 | CYPIIC8 | Cytochrome P450 2C8 (CYP2C8) | P450 IIC2 | P450 MP-12/MP-20 | P450 form 1 | S-mephenytoin 4-hydroxylase
Type:
Protein
Mol. Mass.:
55839.23
Organism:
Homo sapiens (Human)
Description:
P10632
Residue:
490
Sequence:
MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV
  
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:
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