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TargetBifunctional epoxide hydrolase 2
LigandBDBM50217459
Substrate/Competitorn/a
Meas. Tech.ChEMBL_818494 (CHEMBL2032586)
IC50 0.5±n/a nM
Citation Scherman, MSNorth, EJJones, VHess, TNGrzegorzewicz, AEKasagami, TKim, IHMerzlikin, OLenaerts, AJLee, REJackson, MMorisseau, CMcNeil, 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 Chem20:3255-62 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Bifunctional epoxide hydrolase 2
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:
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITL
SQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTA
ILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEV
VFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHG
YVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESS
APPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNT
PFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMH
KVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSL
GRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIK
WLDSDARNPPVVSKM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50217459
n/a
NameBDBM50217459
Synonyms:CHEMBL243335 | trans-1-adamantan-1-yl-3-[4-(4-fluorophenoxy)cyclohexyl]-urea
TypeSmall organic molecule
Emp. Form.C23H31FN2O2
Mol. Mass.386.5028
SMILESFc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:6.5,wD:9.12,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(31.83,-10.88,;30.29,-10.94,;29.56,-12.3,;28.03,-12.36,;27.21,-11.05,;25.67,-11.11,;24.95,-12.47,;25.77,-13.77,;25.05,-15.13,;23.5,-15.18,;22.68,-13.89,;23.41,-12.52,;22.79,-16.55,;21.25,-16.61,;20.42,-15.31,;20.53,-17.97,;18.99,-18.03,;17.98,-19.31,;16.57,-18.75,;15.07,-19.17,;16.27,-17.89,;16.26,-16.4,;17.6,-15.93,;16.56,-17.16,;19,-16.51,;17.59,-18.38,;27.92,-9.69,;29.46,-9.63,)|
Structure
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