Reaction Details Report a problem with these data
Target
Epoxide hydrolase
Ligand
BDBM410785
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.:
52112.47
Organism:
Ovis aries (Sheep)
Description:
W5Q7Q6
Residue:
451
Sequence:
MWLEILLASVLGFVIYWFVSKDKEETLPLEDGWWGPGVRPTAGEDKSIRPFKVETSDEEINDLHQRIDRVRLTPPLEDSRFHYGFNSNYLKKIISYWRNEFDWRKQVEILNKYPHFKTKIEGLDIHFIHVKPPNLPSGQTPKPLLMVHGWPGSFYEFYKIIPLLTDPKNHGLSDEHVFEVICPSIPGYGFSEASSKKGFNSVATARIFYKLMLRLGFQKFYIQGGDWGALICTNMAQLVPSHIKGLHLNMALILRNFYTLTLPLGRCFGGLFGYTERDMELIYPFKKIFFSLLRESGYMHIQSTKPDTVGCALNDSPVGLAAYILEKFSTWTNSEFRDLEDGGLERKFSLDDLLTGIMLYWTTGTITSSQRFYKENLAQVNKHETLKVYVPTGFAAFPCELIHSPEKWVKTKYPKLISYSYMPRGGHFAAFEEPELLAQDIRKFVGLQERQ
  
Inhibitor
Name:
BDBM410785
Synonyms:
US10383835, Compound 2225 | trans-N-methyl- 4-[4- (3-Adamantan-1- yl-ureido)- cyclohexyloxy]- benzamide
Type:
Small organic molecule
Emp. Form.:
C25H35N3O3
Mol. Mass.:
425.5637
SMILES:
CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wU:9.8,TLB:28:19:26:22.23.24,THB:28:23:26:19.27.20,27:19:22:26.25.24,27:25:22:19.28.20,18:19:26:22.23.24,(10.42,-.77,;9.08,,;7.75,-.77,;7.75,-2.31,;6.42,,;5.08,-.77,;3.75,,;3.75,1.54,;2.41,2.31,;1.08,1.54,;1.08,,;-.25,-.77,;-1.59,,;-1.59,1.54,;-.25,2.31,;-2.92,-.77,;-4.25,,;-4.25,1.54,;-5.59,-.77,;-6.92,,;-8.25,-.77,;-9.58,,;-9.58,1.54,;-8.25,2.31,;-9,1.14,;-9.02,-1.26,;-10.42,-1.9,;-7.82,-1.93,;-6.92,1.54,;5.08,2.31,;6.42,1.54,)|
Structure:
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