Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBifunctional epoxide hydrolase 2
LigandBDBM25739
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 8.00±n/a nM
Citation Guedes, AGHammock, BDMorisseau, C Treatment of inflammatory disorders in non-human mammals US Patent US10383835 Publication Date 8/20/2019
More Info.:Get all data from this article,  Assay Method
 
Bifunctional epoxide hydrolase 2
Name:Bifunctional epoxide hydrolase 2
Synonyms:EPHX2 | HYES_PIG | Soluble Epoxide Hydrolase
Type:n/a
Mol. Mass.:62766.18
Organism:Sus scrofa (Pig)
Description:Q6Q2C2
Residue:555
Sequence:
MALRAAVFDLDGVLALPSITTSWARAEEKLALPRGFLNEAFKKGGQDGSVARVMTGEITF
SQWVPFMEEDCRKCAEDSGIRLPENFSVKHIFDKALSEKKINYPMLQAALTLKKKGFSTC
ILTNNWLDDSAQRGSRAQLMCELRPHFDFLIESCRVGMAKPDPQIYKLMLDTLKAEPNEV
VFLDDVGTHLKPVRDLGMATILVRDTDTALRELEKVTGVQLLQTPALPPTSCDPSALSHG
YVLIKPGVRLHFVEMGSGPAVCLCHGFPESWFSWRYQIPALAQAGFRVLAVDMKGYGESS
APPEIEEYSLEVLCKDMVTFLNKLGLSQAVFIGHDWGGVLVWNMALFYPERVRAVASLNT
PFMPSNPNVSPMEIIKANPVFDYQLYFQEPGVAEAELEQNLDRTFKNFFRAHDETFLTTN
RVRELGGLFVGTPEEPSLSRLVTEEDIQFYVQQFKKSGFRGPLNWYRNMERNWQWGCKGS
GRKILIPALMVTAENDLVLHPKMSKHMENWIPHLKRGHIKDCGHWTQIDKPAELNRILIE
WLETDARNPLVDSKL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM25739
n/a
NameBDBM25739
Synonyms:4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}oxy)benzoic acid | US10383835, Compound 1471 | Urea-based compound, 20 | Urea-based compound, 21
TypeSmall organic molecule
Emp. Form.C24H32N2O4
Mol. Mass.412.5219
SMILESOC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: