Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM50380508
Substrate
n/a
Meas. Tech.
ChEMBL_813100 (CHEMBL2020719)
IC50
250±n/a nM
Citation
 Foti, RS; Rock, DA; Han, X; Flowers, RA; Wienkers, LC; Wahlstrom, JL Ligand-based design of a potent and selective inhibitor of cytochrome P450 2C19. J Med Chem 55:1205-14 (2012) [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:
BDBM50380508
Synonyms:
CHEMBL2018923
Type:
Small organic molecule
Emp. Form.:
C21H18N2OS
Mol. Mass.:
346.445
SMILES:
COc1ccc2nc(SCc3cccc(c3)-c3ccccc3)[nH]c2c1
Structure:
Search PDB for entries with ligand similarity: