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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50435140
Substrate
n/a
Meas. Tech.
ChEMBL_963496 (CHEMBL2394377)
IC50
5.0±n/a nM
Citation
 North, EJ; Scherman, MS; Bruhn, DF; Scarborough, JS; Maddox, MM; Jones, V; Grzegorzewicz, A; Yang, L; Hess, T; Morisseau, C; Jackson, M; McNeil, MR; Lee, RE Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem 21:2587-99 (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:
BDBM50435140
Synonyms:
CHEMBL2392735
Type:
Small organic molecule
Emp. Form.:
C15H21N3O2
Mol. Mass.:
275.3461
SMILES:
Cc1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)no1 |TLB:7:8:10:14.13.12,THB:8:9:12:17.16.15,8:16:10.9.14:12,15:16:10:14.13.12,15:13:10:17.8.16,(26.33,-.46,;25.87,-1.92,;24.41,-2.41,;24.42,-3.96,;23.09,-4.74,;21.76,-3.97,;21.76,-2.43,;20.43,-4.74,;19.1,-3.96,;18.6,-5.39,;19.09,-6.87,;17.76,-5.73,;16.28,-5.82,;15.73,-4.49,;17.02,-5.47,;16.24,-3.07,;17.77,-3.01,;18.19,-4.38,;25.89,-4.42,;26.78,-3.16,)|
Structure:
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