Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM158488
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:
BDBM158488
Synonyms:
US9029401, 2278 (t-CUPM)
Type:
Small organic molecule
Emp. Form.:
C21H22ClF3N4O3
Mol. Mass.:
470.873
SMILES:
CNC(=O)c1cc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wU:8.7,(11.34,1.54,;10,.77,;8.67,1.54,;8.67,3.08,;7.34,.77,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-6,.77,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-8.67,-.77,;-7.34,-1.54,;-10,-1.54,;-11.34,-.77,;-10,-3.08,;-11.34,-2.31,;4.67,-.77,;6,-1.54,;7.34,-.77,)|
Structure:
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