Reaction Details Report a problem with these data
Target
Epoxide hydrolase 1
Ligand
BDBM158487
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
4.00±n/a nM
Citation
 Guedes, AG; Hammock, BD; Morisseau, C Treatment of inflammatory disorders in non-human mammals US Patent  US10383835 Publication Date 8/20/2019 
Target
Name:
Epoxide hydrolase 1
Synonyms:
EPHX1
Type:
n/a
Mol. Mass.:
55532.32
Organism:
Felis catus (Cat) (Felis silvestris catus)
Description:
A0A2I2V3F9
Residue:
483
Sequence:
MLTSPSFSLGVTATMVPTVPSTCPRLLKGKGIMWLEILLASVLAFVVYWFVSRDKEETLPLEDGWWGPGARPTAPEDESIRPFKVETSDEEIKDLHRRIDGTRLTPPLEDSRFHYGFNSNYLKKILSYWRNEFDWRKQVEMLNRYPHFKTRIEGLDIHFVHVKPPQLPPGRTPKPLLMVHGWPGSFYEFYKIIPLLTDPANHGLSEEHVFEVICPSIPGYAFSEAASKKGLNSVATARIFYKLMLRLGFREFYIQGGDWGALICTHMAQMVPSHVKGLHLNMAFILNGRILTLFLVRHCPRLFGFTQRDMELMLPFKEKIFYKPLRESGYMHIQSTKPDTVGCALNDSPAGLAAYILEKFSTWTDSEFQELEDGGLERKFSLDDLLTNVMLYWTTGTITSSQRFYKENRGQLFKQDRVKVSVPTGLAAFPCELMHIPERWVKGKYPRLVSYSYMPRGGHFAALEEPELLARDIRKFVGLLELP
  
Inhibitor
Name:
BDBM158487
Synonyms:
US10383835, Compound 2226 | US9029401, 2253
Type:
Small organic molecule
Emp. Form.:
C22H23ClF3N3O3
Mol. Mass.:
469.885
SMILES:
CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:9.8,(11.34,-.77,;10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-8.67,,;-7.34,-.77,;-10,-.77,;-11.34,,;-10,-2.31,;-11.34,-1.54,;6,2.31,;7.34,1.54,)|
Structure:
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