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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50133708
Substrate
n/a
Meas. Tech.
ChEMBL_1526369 (CHEMBL3637430)
IC50
123±n/a nM
Citation
 Burmistrov, V; Morisseau, C; Danilov, D; Harris, TR; Dalinger, I; Vatsadze, I; Shkineva, T; Butov, GM; Hammock, BD 1,3-Disubstituted and 1,3,3-trisubstituted adamantyl-ureas with isoxazole as soluble epoxide hydrolase inhibitors. Bioorg Med Chem Lett 25:5514-9 (2015) [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:
BDBM50133708
Synonyms:
CHEMBL3633682
Type:
Small organic molecule
Emp. Form.:
C18H27N3O2
Mol. Mass.:
317.4259
SMILES:
Cc1cc(CNC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)on1 |TLB:18:16:20:11.12.10,18:11:20:15.16.19,14:13:16.19.18:10,17:16:20:11.12.10,17:16:13.20.12:10,THB:15:13:16.19.18:10,15:16:13.20.12:10|
Structure:
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