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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50383478
Substrate
n/a
Meas. Tech.
ChEMBL_818494 (CHEMBL2032586)
IC50
1.2±n/a nM
Citation
 Scherman, MS; North, EJ; Jones, V; Hess, TN; Grzegorzewicz, AE; Kasagami, T; Kim, IH; Merzlikin, O; Lenaerts, AJ; Lee, RE; Jackson, M; Morisseau, C; McNeil, MR Screening a library of 1600 adamantyl ureas for anti-Mycobacterium tuberculosis activity in vitro and for better physical chemical properties for bioavailability. Bioorg Med Chem 20:3255-62 (2012) [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:
BDBM50383478
Synonyms:
CHEMBL2031926
Type:
Small organic molecule
Emp. Form.:
C22H38N2O2
Mol. Mass.:
362.5493
SMILES:
CCCCCO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |r,wU:6.5,wD:9.12,TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,(42.92,-15.73,;41.59,-14.96,;40.25,-15.72,;38.92,-14.95,;37.58,-15.71,;36.25,-14.94,;34.92,-15.7,;34.91,-17.24,;33.58,-18.01,;32.24,-17.24,;32.24,-15.69,;33.58,-14.93,;30.91,-18.01,;29.57,-17.24,;29.58,-15.7,;28.24,-18.01,;26.91,-17.24,;25.9,-18.52,;24.49,-17.96,;22.99,-18.38,;24.19,-17.1,;24.18,-15.61,;25.53,-15.14,;24.49,-16.37,;26.92,-15.71,;25.52,-17.59,)|
Structure:
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