Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2C8
LigandBDBM50585813
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2164040 (CHEMBL5048901)
IC50 7700±n/a nM
Citation Shi, YWang, YMeng, WBrigance, RPRyono, DEBolton, SZhang, HChen, SSmirk, RTao, STino, JAWilliams, KNSulsky, RNielsen, LEllsworth, BWong, MKYSun, JHLeith, LWSun, DWu, DRGupta, ARampulla, RMathur, AChen, BCWang, AFuentes-Catanio, HGKunselman, LCap, MZalaznick, JMa, XLiu, HTaylor, JRZebo, RJones, BKalinowski, SSwartz, JStaal, AO'Malley, KKopcho, LMuckelbauer, JKKrystek, SRSpronk, SAMarcinkeviciene, JEverlof, GChen, XQXu, CLi, YXLangish, RAYang, YWang, QBehnia, KFura, AJanovitz, EBPannacciulli, NGriffen, SZinker, BAKrupinski, JKirby, MWhaley, JZahler, RBarrish, JCRobl, JACheng, PTW Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 J Med Chem65:4291-4317 (2022) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C8
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:
MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKV
YGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRW
KEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICS
VVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALT
RSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTE
TTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSD
LVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFK
KSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLP
PSYQICFIPV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50585813
n/a
NameBDBM50585813
Synonyms:CHEMBL5072532
TypeSmall organic molecule
Emp. Form.C26H33N6O7P
Mol. Mass.572.55
SMILESCCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: