Reaction Details
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Bifunctional epoxide hydrolase 2
Ligand
BDBM50436435
Substrate
n/a
Meas. Tech.
sEH Assay
IC50
0.5±n/a nM
Citation
Hammock, BD; Hwang, SH; Wecksler, AT; Morisseau, C Sorafenib derivatives as sEH inhibitors US Patent US9029401 Publication Date 5/12/2015 More Info.:
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:
BDBM50436435
Synonyms:
CHEMBL2397139 | US9029401, 2225
Type:
Small organic molecule
Emp. Form.:
C25H35N3O3
Mol. Mass.:
425.5637
SMILES:
CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wU:9.8,wD:12.15,TLB:18:19:22:26.25.24,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,(20.94,-45.42,;19.61,-44.65,;19.61,-43.11,;20.95,-42.34,;18.28,-42.34,;16.94,-43.1,;15.61,-42.33,;15.62,-40.79,;14.28,-40.01,;12.95,-40.78,;12.95,-42.32,;11.62,-43.08,;10.29,-42.32,;10.29,-40.78,;11.62,-40,;8.96,-43.09,;7.62,-42.32,;7.62,-40.78,;6.29,-43.09,;4.96,-42.33,;3.94,-43.6,;2.54,-43.04,;1.03,-43.46,;2.23,-42.18,;2.22,-40.7,;3.57,-40.22,;2.53,-41.45,;4.97,-40.8,;3.56,-42.67,;16.94,-40.02,;18.28,-40.79,)|
Structure:
