Target
Cytochrome P450 2C8
Ligand
BDBM298472
Substrate
n/a
Meas. Tech.
Inhibition of CYP-2C8
IC50
8000±n/a nM
Citation
 Eckhardt, MWagner, HPeters, 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:
BDBM298472
Synonyms:
US10125101, Example 22
Type:
Small organic molecule
Emp. Form.:
C32H30FN3O3
Mol. Mass.:
523.5973
SMILES:
COc1cc(ccn1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.37,22.29,wD:35.41,(-12.02,9.69,;-10.99,8.54,;-11.47,7.08,;-10.44,5.93,;-10.91,4.47,;-12.42,4.15,;-13.45,5.29,;-12.97,6.76,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-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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