Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM342711
Substrate
n/a
Meas. Tech.
Biochemical Screening Assay
IC50
2.36±n/a nM
Citation
 Mendez-Perez, M; Breitschopf, K; Lorenz, K; Strobel, H; Wang, L; Schiffer, A; Goerlitzer, J Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase US Patent  US9776991 Publication Date 10/3/2017 
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:
BDBM342711
Synonyms:
5-[4-(2,6-Dichloro-benzoyl)-piperazin-1-ylmethyl]-thiophene-2-carboxylic acid 2-trifluoromethyl-benzylamide | US9776991, Example 81
Type:
Small organic molecule
Emp. Form.:
C25H22Cl2F3N3O2S
Mol. Mass.:
556.427
SMILES:
FC(F)(F)c1ccccc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)c2c(Cl)cccc2Cl)s1
Structure:
Search PDB for entries with ligand similarity: