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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50029781
Substrate
n/a
Meas. Tech.
ChEMBL_2074989 (CHEMBL4730523)
IC50
2700±n/a nM
Citation
 Hiesinger, K; Kramer, JS; Beyer, S; Eckes, T; Brunst, S; Flauaus, C; Wittmann, SK; Weizel, L; Kaiser, A; Kretschmer, SBM; George, S; Angioni, C; Heering, J; Geisslinger, G; Schubert-Zsilavecz, M; Schmidtko, A; Pogoryelov, D; Pfeilschifter, J; Hofmann, B; Steinhilber, D; Schwalm, S; Proschak, E Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase. J Med Chem 63:11498-11521 (2020) [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:
BDBM50029781
Synonyms:
(R)-(+)-N-{3-[5-(4-fluorobenzyl)thien-2-yl]-1-methylprop-2-ynyl}-N-hydroxyurea | A-85761 | Atreleuton | CHEMBL59356 | N-{(1R)-3-[5-(4-fluorobenzyl)thien-2-yl]-1-methylprop-2-ynyl}-N-hydroxyurea | N-{(1R)-3-[5-(4-fluorobenzyl)thien-2-yl]-1-methylprop-2-ynyl}-N-hydroxyurea (ABT-761) | {3-[5-(4-Fluoro-benzyl)-thiophen-2-yl]-1-methyl-prop-2-ynyl}-hydroxy urea
Type:
Small organic molecule
Emp. Form.:
C16H15FN2O2S
Mol. Mass.:
318.366
SMILES:
C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
Structure:
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