Reaction Details 
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Cytochrome P450 2C8
Ligand
BDBM50451447
Substrate
n/a
Meas. Tech.
ChEMBL_1745294 (CHEMBL4179804)
IC50
6170±n/a nM
Citation
Storer, RI; Pike, A; Swain, NA; Alexandrou, AJ; Bechle, BM; Blakemore, DC; Brown, AD; Castle, NA; Corbett, MS; Flanagan, NJ; Fengas, D; Johnson, MS; Jones, LH; Marron, BE; Payne, CE; Printzenhoff, D; Rawson, DJ; Rose, CR; Ryckmans, T; Sun, J; Theile, JW; Torella, R; Tseng, E; Warmus, JS Highly potent and selective Na Bioorg Med Chem Lett 27:4805-4811 (2017) [PubMed] ArticleMore Info.:
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:
BDBM50451447
Synonyms:
CHEMBL4217988
Type:
Small organic molecule
Emp. Form.:
C35H32F3N7O3S2
Mol. Mass.:
719.799
SMILES:
FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
Structure:
