Reaction Details Report a problem with these data
Target
Epoxide hydrolase
Ligand
BDBM158485
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1.000±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
Synonyms:
EPHX1
Type:
Enzyme
Mol. Mass.:
48577.06
Organism:
Equus caballus (Horse)
Description:
A0A5F5PR84
Residue:
462
Sequence:
MMTSLRVMWLEILLTSVLGFVIYWFVSRDKEETLPLEDGWWGPGSRPTGREDESIRPFKVETSDEEINDLHQRIDKARLTPPLEDSRFHYGFNSNYLKQIVSYWRNEFDWKKQVEILNRYPHFKTKIEGLDIHFIHVKPPQLPSGRTPKPLLMVHGWPGSFYEFYKIIPFLTDPKSHGLGDEHVFEVICPCIPGYGFSEASSKKGFNTVATARIFYKLMLRLGFQEFYVQGGDWGALICTNIAQLVPSHVKGLHLNMAFVLRSFYTLTLPLGRHFAGLFGYTHKDVELMYPFKEKIFYSLMRESGYMHIQATKPDTVGCALNDSPVGLAAYILEKFSTWTKSEFRDLEDGGLERKFSLDDLLTNIMLYWTTGSITSSQRFYKENLGQGYMAHKHERMKVYVPTGFAAFPCELLHAPENWVKFKYPKLISYSYMPRGGHFAAFEEPQLLAQDIRKFVGLLERQ
  
Inhibitor
Name:
BDBM158485
Synonyms:
US10383835, Compound 2228 | US9029401, 2227
Type:
Small organic molecule
Emp. Form.:
C22H24F3N3O4
Mol. Mass.:
451.4389
SMILES:
CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,(10.67,-.77,;9.34,,;8,-.77,;8,-2.31,;6.67,,;5.33,-.77,;4,,;4,1.54,;2.67,2.31,;1.33,1.54,;1.33,,;,-.77,;-1.33,,;-1.33,1.54,;,2.31,;-2.67,-.77,;-4,,;-4,1.54,;-5.33,-.77,;-6.67,,;-6.67,1.54,;-8,2.31,;-9.34,1.54,;-10.67,2.31,;-10.67,3.85,;-10.67,5.39,;-9.34,4.62,;-12,4.62,;-9.34,,;-8,-.77,;5.33,2.31,;6.67,1.54,)|
Structure:
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