Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50351231
Substrate
n/a
Meas. Tech.
ChEMBL_763895 (CHEMBL1819920)
IC50
6.4±n/a nM
Citation
 Brown, JR; North, EJ; Hurdle, JG; Morisseau, C; Scarborough, JS; Sun, D; Korduláková, J; Scherman, MS; Jones, V; Grzegorzewicz, A; Crew, RM; Jackson, M; McNeil, MR; Lee, RE The structure-activity relationship of urea derivatives as anti-tuberculosis agents. Bioorg Med Chem 19:5585-95 (2011) [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:
BDBM50351231
Synonyms:
CHEMBL1818400
Type:
Small organic molecule
Emp. Form.:
C16H28N2O
Mol. Mass.:
264.4063
SMILES:
CCCCCNC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:18:17:15:11.12.13,THB:18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,8:9:15:11.12.13,(-8.24,-49.45,;-6.91,-50.22,;-5.57,-49.45,;-4.24,-50.22,;-2.9,-49.45,;-1.57,-50.21,;-.23,-49.44,;-.24,-47.9,;1.1,-50.21,;2.43,-49.44,;3.63,-48.16,;4.95,-48.65,;6.35,-48.31,;6.36,-46.78,;4.96,-46.2,;3.62,-46.68,;3.92,-47.43,;3.93,-49.02,;5.34,-49.58,)|
Structure:
Search PDB for entries with ligand similarity: