Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50586969
Substrate
n/a
Meas. Tech.
ChEMBL_2170254 (CHEMBL5055313)
IC50
2.0±n/a nM
Citation
 Lillich, FFWillems, SNi, XKilu, WBorkowsky, CBrodsky, MKramer, JSBrunst, SHernandez-Olmos, VHeering, JSchierle, SKestner, RIMayser, FMHelmstädter, MGöbel, TWeizel, LNamgaladze, DKaiser, ASteinhilber, DPfeilschifter, WKahnt, ASProschak, AChaikuad, AKnapp, SMerk, DProschak, E Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor ? Agonists/Soluble Epoxide Hydrolase Inhibitors. J Med Chem 64:17259-17276 (2021) [PubMed]  Article 
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:
BDBM50586969
Synonyms:
CHEMBL5088299
Type:
Small organic molecule
Emp. Form.:
C27H22F4N2O5S2
Mol. Mass.:
594.598
SMILES:
Fc1cccc(c1)S(=O)(=O)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
Structure:
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