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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50444535
Substrate
n/a
Meas. Tech.
ChEMBL_1281542 (CHEMBL3102108)
IC50
95000±n/a nM
Citation
 Achenbach, J; Klingler, FM; Blöcher, R; Moser, D; Häfner, AK; Rödl, CB; Kretschmer, S; Krüger, B; Löhr, F; Stark, H; Hofmann, B; Steinhilber, D; Proschak, E Exploring the chemical space of multitarget ligands using aligned self-organizing maps. ACS Med Chem Lett 4:1169-72 (2013) [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:
BDBM50444535
Synonyms:
CHEMBL3099592
Type:
Small organic molecule
Emp. Form.:
C14H16N2O2
Mol. Mass.:
244.289
SMILES:
Oc1ccc(CC2=C(N=O)C3CCN2CC3)cc1 |c:6,(60.33,-4.83,;58.78,-4.86,;58.04,-6.21,;56.5,-6.24,;55.71,-4.92,;54.16,-4.95,;53.37,-3.63,;51.83,-3.65,;51.08,-5,;51.88,-6.32,;51.04,-2.34,;51.78,-.99,;53.32,-.95,;54.11,-2.28,;53.18,-1.54,;51.77,-1.54,;56.44,-3.57,;57.98,-3.54,)|
Structure:
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