Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM158494
Substrate
n/a
Meas. Tech.
sEH Assay
IC50
0.9±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:
BDBM158494
Synonyms:
US9029401, 2372
Type:
Small organic molecule
Emp. Form.:
C21H21F3N2O4
Mol. Mass.:
422.3976
SMILES:
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 |r,wU:8.7,wD:11.14,(10.67,-.77,;9.34,-1.54,;9.34,-3.08,;8,-.77,;6.67,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8,-.77,;-6.67,-1.54,;-9.34,1.54,;-10.67,.77,;-9.34,3.08,;-10.67,2.31,;6.67,1.54,;8,.77,)|
Structure:
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