Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50217455
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
2±n/a nM
Citation
 Hwang, SH; Tsai, HJ; Liu, JY; Morisseau, C; Hammock, BD Orally bioavailable potent soluble epoxide hydrolase inhibitors. J Med Chem 50:3825-40 (2007) [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:
BDBM50217455
Synonyms:
CHEMBL245255 | cis-1-adamantan-1-yl-3-[4-(2-chlorobenzyloxy)cyclohexyl]-urea
Type:
Small organic molecule
Emp. Form.:
C24H33ClN2O2
Mol. Mass.:
416.984
SMILES:
Clc1ccccc1CO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:12.16,9.9,TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24,(18.94,-47.28,;18.13,-45.97,;18.85,-44.62,;18.04,-43.31,;16.5,-43.36,;15.77,-44.72,;16.59,-46.02,;15.87,-47.38,;14.33,-47.44,;13.61,-48.8,;12.07,-48.86,;11.34,-50.22,;12.16,-51.52,;13.71,-51.46,;14.42,-50.11,;11.45,-52.88,;9.91,-52.94,;9.08,-51.64,;9.19,-54.3,;7.65,-54.37,;6.64,-55.64,;5.23,-55.08,;3.73,-55.5,;4.93,-54.22,;4.92,-52.74,;6.26,-52.26,;5.22,-53.49,;7.66,-52.84,;6.25,-54.71,)|
Structure:
Search PDB for entries with ligand similarity: