Reaction Details  Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50502344
Substrate
n/a
Meas. Tech.
ChEMBL_1807426 (CHEMBL4306785)
IC50
2800±n/a nM
Citation
 Hiesinger, K; Kramer, JS; Achenbach, J; Moser, D; Weber, J; Wittmann, SK; Morisseau, C; Angioni, C; Geisslinger, G; Kahnt, AS; Kaiser, A; Proschak, A; Steinhilber, D; Pogoryelov, D; Wagner, K; Hammock, BD; Proschak, E Computer-Aided Selective Optimization of Side Activities of Talinolol. ACS Med Chem Lett 10:899-903 (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:
BDBM50502344
Synonyms:
Talinolol
Type:
Small organic molecule
Emp. Form.:
C20H33N3O3
Mol. Mass.:
363.4943
SMILES:
CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: