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Target
Cytochrome P450 2C8
Ligand
BDBM50463725
Substrate
n/a
Meas. Tech.
ChEMBL_1779272 (CHEMBL4236264)
IC50
100±n/a nM
Citation
 Qiu, H; Liu-Bujalski, L; Caldwell, RD; Follis, AV; Gardberg, A; Goutopoulos, A; Grenningloh, R; Head, J; Johnson, T; Jones, R; Mochalkin, I; Morandi, F; Neagu, C; Sherer, B Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg Med Chem Lett 28:2939-2944 (2018) [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:
BDBM50463725
Synonyms:
CHEMBL4242598
Type:
Small organic molecule
Emp. Form.:
C26H24N4O4
Mol. Mass.:
456.4932
SMILES:
[H][C@]12CN(c3ccc(C(N)=O)c(Oc4ccc(Oc5ccccc5)cc4)n3)[C@]([H])(CN1C(=O)C=C)C2 |r|
Structure:
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