Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM158492
Substrate
n/a
Meas. Tech.
sEH Assay
IC50
0.5±n/a nM
Citation
 Hammock, BD; Hwang, SH; Wecksler, AT; Morisseau, C Sorafenib derivatives as sEH inhibitors US Patent  US9029401 Publication Date 5/12/2015 
Target
Name:
Bifunctional epoxide hydrolase 2
Synonyms:
Cytosolic epoxide hydrolase 2 | EBifunctional epoxide hydrolase 2 | EPHX2 | Epoxide hydratase | HYES_HUMAN | Lipid-phosphate phosphatase | Soluble epoxide hydrolase (sEH) | epoxide hydrolase 2, cytoplasmic
Type:
Enzyme
Mol. Mass.:
62613.07
Organism:
Homo sapiens (Human)
Description:
P34913
Residue:
555
Sequence:
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKM
  
Inhibitor
Name:
BDBM158492
Synonyms:
US9029401, 2318
Type:
Small organic molecule
Emp. Form.:
C24H27ClF3N3O4
Mol. Mass.:
513.937
SMILES:
CC(C)(C)OC(=O)c1cc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wD:14.17,11.10,(12.21,.77,;10.67,.77,;10.67,2.31,;10.67,-.77,;9.13,.77,;7.8,1.54,;7.8,3.08,;6.46,.77,;5.13,1.54,;3.79,.77,;2.46,1.54,;1.13,.77,;1.13,-.77,;-.21,-1.54,;-1.54,-.77,;-1.54,.77,;-.21,1.54,;-2.87,-1.54,;-4.21,-.77,;-4.21,.77,;-5.54,-1.54,;-6.87,-.77,;-6.87,.77,;-8.21,1.54,;-9.54,.77,;-10.88,1.54,;-9.54,-.77,;-8.21,-1.54,;-10.88,-1.54,;-12.21,-.77,;-10.88,-3.08,;-12.21,-2.31,;3.79,-.77,;5.13,-1.54,;6.46,-.77,)|
Structure:
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