Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM158497
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:
BDBM158497
Synonyms:
US9029401, 2578
Type:
Small organic molecule
Emp. Form.:
C24H27F3N4O4
Mol. Mass.:
492.4908
SMILES:
FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccnc(c2)C(=O)N2CCCC2)cc1 |r,wU:16.19,wD:13.12,(-12.52,.77,;-11.19,,;-11.19,-1.54,;-12.52,-.77,;-9.85,.77,;-8.52,,;-7.19,.77,;-5.85,,;-5.85,-1.54,;-4.52,-2.31,;-3.19,-1.54,;-3.19,,;-1.85,-2.31,;-.52,-1.54,;.82,-2.31,;2.15,-1.54,;2.15,,;.82,.77,;-.52,,;3.48,.77,;4.82,,;4.82,-1.54,;6.15,-2.31,;7.48,-1.54,;7.48,,;6.15,.77,;8.82,.77,;8.82,2.31,;10.15,,;10.15,-1.54,;11.62,-2.02,;12.52,-.77,;11.62,.48,;-7.19,-2.31,;-8.52,-1.54,)|
Structure:
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