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Target
Cytochrome P450 2C8
Ligand
BDBM50590061
Substrate
n/a
Meas. Tech.
ChEMBL_2194838 (CHEMBL5107198)
IC50
45200±n/a nM
Citation
 He, H; Zhang, Y; Xu, J; Li, Y; Fang, H; Liu, Y; Zhang, S Discovery of Orally Bioavailable SOS1 Inhibitors for Suppressing KRAS-Driven Carcinoma. J Med Chem 65:13158-13171 (2022) [PubMed] 
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:
BDBM50590061
Synonyms:
CHEMBL5196432
Type:
Small organic molecule
Emp. Form.:
C26H27F6N5O
Mol. Mass.:
539.5159
SMILES:
[H][C@]12CN(CC(F)(F)F)CCN1c1cc3c(N[C@H](C)c4cccc(C(F)F)c4F)nc(C)nc3cc1OCC2 |r|
Structure:
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