Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM158479
Substrate
n/a
Meas. Tech.
sEH Assay
IC50
3.4±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:
BDBM158479
Synonyms:
US9029401, 1612
Type:
Small organic molecule
Emp. Form.:
C23H25F3N2O5
Mol. Mass.:
466.4502
SMILES:
CCOC(=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:13.16,10.9,(-6.39,-8.92,;-6.39,-7.38,;-5.06,-6.61,;-5.06,-5.07,;-6.39,-4.3,;-3.73,-4.3,;-2.39,-5.07,;-1.06,-4.3,;-1.06,-2.76,;.28,-1.99,;.28,-.45,;1.61,.32,;1.61,1.86,;.28,2.63,;-1.06,1.86,;-1.06,.32,;.28,4.17,;1.61,4.94,;1.61,6.48,;2.94,4.17,;4.28,4.94,;4.28,6.48,;5.61,7.25,;6.94,6.48,;8.28,7.25,;9.61,6.48,;10.95,5.71,;9.61,4.94,;10.95,7.25,;6.94,4.94,;5.61,4.17,;-2.39,-1.99,;-3.73,-2.76,)|
Structure:
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