Target
Cytochrome P450 2C8
Ligand
BDBM50125972
Substrate
n/a
Meas. Tech.
ChEMBL_1522960 (CHEMBL3630992)
IC50
456±n/a nM
Citation
 Zhang, TAndre, PBateman, TJChen, YHDesai, KEllsworth, KGeissler, WMGuo, LHruza, AJian, TMeng, DParker, DLQian, XReichert, PSherer, ECShu, MSmith, CJSonatore, LMTschirret-Guth, RNolting, AFOrr, RCampeau, LCAraki, KNishimura, TSakurada, IWood, HB Development of a novel class of potent and selective FIXa inhibitors. Bioorg Med Chem Lett 25:4945-9 (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:
BDBM50125972
Synonyms:
CHEMBL3627894
Type:
Small organic molecule
Emp. Form.:
C26H20Cl3FN6O2
Mol. Mass.:
573.833
SMILES:
COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1 |r|
Structure:
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