Target
Cytochrome P450 2C8
Ligand
BDBM50133595
Substrate
n/a
Meas. Tech.
ChEMBL_1526308 (CHEMBL3637255)
IC50
>100000±n/a nM
Citation
 Ruggeri, RBBuckbinder, LBagley, SWCarpino, PAConn, ELDowling, MSFernando, DPJiao, WKung, DWOrr, STQi, YRocke, BNSmith, AWarmus, JSZhang, YBowles, DWidlicka, DWEng, HRyder, TSharma, RWolford, AOkerberg, CWalters, KMaurer, TSZhang, YBonin, PDSpath, SNXing, GHepworth, DAhn, KKalgutkar, AS Discovery of 2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide (PF-06282999): A Highly Selective Mechanism-Based Myeloperoxidase Inhibitor for the Treatment of Cardiovascular Diseases. J Med Chem 58:8513-28 (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:
BDBM50133595
Synonyms:
CHEMBL3633460
Type:
Small organic molecule
Emp. Form.:
C13H12ClN3O3S
Mol. Mass.:
325.771
SMILES:
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
Structure:
Search PDB for entries with ligand similarity: