Reaction Details  Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50445097
Substrate
n/a
Meas. Tech.
ChEMBL_1284105 (CHEMBL3107383)
IC50
50±n/a nM
Citation
 Kim, IH; Lee, IH; Nishiwaki, H; Hammock, BD; Nishi, K Structure-activity relationships of substituted oxyoxalamides as inhibitors of the human soluble epoxide hydrolase. Bioorg Med Chem 22:1163-75 (2014) [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:
BDBM50445097
Synonyms:
CHEMBL3103800
Type:
Small organic molecule
Emp. Form.:
C19H24N2O3
Mol. Mass.:
328.4055
SMILES:
O=C(NOCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:16:17:14.15.20:21,13:14:17.23.18:21,THB:16:15:17.23.18:21,18:17:14:20.19.21,18:19:14:16.17.23,(46.47,-5.68,;46.47,-4.14,;47.81,-3.37,;49.14,-4.14,;50.48,-3.37,;51.81,-4.14,;51.81,-5.68,;53.14,-6.45,;54.48,-5.68,;54.47,-4.13,;53.14,-3.36,;45.14,-3.37,;45.14,-1.82,;43.8,-4.14,;42.47,-3.36,;41.02,-3.8,;40.11,-5.07,;40.24,-3.32,;39.3,-2.17,;40.05,-.95,;40.02,-2.57,;41.5,-.53,;42.45,-1.72,;41.59,-2.87,)|
Structure:
Search PDB for entries with ligand similarity: