Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50586955
Substrate
n/a
Meas. Tech.
ChEMBL_2170254 (CHEMBL5055313)
IC50
4.0±n/a nM
Citation
 Lillich, FF; Willems, S; Ni, X; Kilu, W; Borkowsky, C; Brodsky, M; Kramer, JS; Brunst, S; Hernandez-Olmos, V; Heering, J; Schierle, S; Kestner, RI; Mayser, FM; Helmstädter, M; Göbel, T; Weizel, L; Namgaladze, D; Kaiser, A; Steinhilber, D; Pfeilschifter, W; Kahnt, AS; Proschak, A; Chaikuad, A; Knapp, S; Merk, D; Proschak, 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:
BDBM50586955
Synonyms:
CHEMBL5090873
Type:
Small organic molecule
Emp. Form.:
C26H20F4N2O4S
Mol. Mass.:
532.507
SMILES:
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)C(=O)c2cccc(F)c2)c(c1)C(F)(F)F
Structure:
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