Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50525801
Substrate
n/a
Meas. Tech.
ChEMBL_1898247 (CHEMBL4400282)
IC50
8.6±n/a nM
Citation
 Codony, S; Valverde, E; Leiva, R; Brea, J; Isabel Loza, M; Morisseau, C; Hammock, BD; Vázquez, S Exploring the size of the lipophilic unit of the soluble epoxide hydrolase inhibitors. Bioorg Med Chem 27:0 (2019) [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:
BDBM50525801
Synonyms:
CHEMBL4465856
Type:
Small organic molecule
Emp. Form.:
C23H30N2O4
Mol. Mass.:
398.4953
SMILES:
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC2CC(C3)C4)cc1 |r,wU:8.7,wD:11.14,TLB:23:22:26.24.25:19,THB:23:24:19:21.22,(59.78,-7.36,;59.78,-5.82,;61.11,-5.05,;58.44,-5.05,;57.1,-5.82,;55.77,-5.04,;55.78,-3.5,;54.45,-2.73,;53.11,-3.49,;53.11,-5.03,;51.78,-5.79,;50.46,-5.03,;50.46,-3.49,;51.78,-2.71,;49.12,-5.8,;47.79,-5.04,;47.79,-3.5,;46.46,-5.81,;45.12,-5.04,;44.11,-6.32,;42.7,-5.76,;42.7,-4.17,;43.74,-2.94,;42.4,-3.41,;42.4,-4.9,;43.72,-5.39,;41.21,-6.17,;57.11,-2.73,;58.44,-3.5,)|
Structure:
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