Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM50540846
Substrate
n/a
Meas. Tech.
ChEMBL_1983164 (CHEMBL4616426)
IC50
>100000±n/a nM
Citation
 Zhang, C; Ye, F; Wang, J; He, P; Lei, M; Huang, L; Huang, A; Tang, P; Lin, H; Liao, Y; Liang, Y; Ni, J; Yan, P Design, Synthesis, and Evaluation of a Series of Novel Super Long-Acting DPP-4 Inhibitors for the Treatment of Type 2 Diabetes. J Med Chem 63:7108-7126 (2020) [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:
BDBM50540846
Synonyms:
CHEMBL4646510
Type:
Small organic molecule
Emp. Form.:
C18H19F5N4O3S
Mol. Mass.:
466.425
SMILES:
CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|
Structure:
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