Reaction Details Report a problem with these data
Target
Cytochrome P450 2C8
Ligand
BDBM298462
Substrate
n/a
Meas. Tech.
Inhibition of CYP-2C8
IC50
30000±n/a nM
Citation
 Eckhardt, M; Wagner, H; Peters, S Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof US Patent  US10125101 Publication Date 11/13/2018 
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:
BDBM298462
Synonyms:
US10125101, Example 12
Type:
Small organic molecule
Emp. Form.:
C30H31FN2O4
Mol. Mass.:
502.5765
SMILES:
Cc1cc(O[C@@H]2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.35,20.27,wD:33.39,5.4,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.34,7.18,;-10.44,8.43,;-8.97,7.95,;-8.97,6.41,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Structure:
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