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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50465532
Substrate
n/a
Meas. Tech.
ChEMBL_1785244 (CHEMBL4256761)
IC50
550±n/a nM
Citation
 Schierle, S; Flauaus, C; Heitel, P; Willems, S; Schmidt, J; Kaiser, A; Weizel, L; Goebel, T; Kahnt, AS; Geisslinger, G; Steinhilber, D; Wurglics, M; Rovati, GE; Schmidtko, A; Proschak, E; Merk, D Boosting Anti-Inflammatory Potency of Zafirlukast by Designed Polypharmacology. J Med Chem 61:5758-5764 (2018) [PubMed]  Article 
Target
Name:
Bifunctional epoxide hydrolase 2
Synonyms:
Soluble epoxide hydrolase (sEH) | epoxide hydrolase 2, cytoplasmic | Cytosolic epoxide hydrolase 2 | Lipid-phosphate phosphatase | HYES_HUMAN | EPHX2 | EBifunctional epoxide hydrolase 2 | Epoxide hydratase
Type:
Enzyme
Mol. Mass.:
62613.07
Organism:
Human
Description:
P34913
Residue:
555
Sequence:
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKM
  
Inhibitor
Name:
BDBM50465532
Synonyms:
CHEMBL4286347
Type:
Small organic molecule
Emp. Form.:
C31H32Cl2N4O5S
Mol. Mass.:
643.59
SMILES:
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
Structure:
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