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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50539380
Substrate
n/a
Meas. Tech.
ChEMBL_1977927 (CHEMBL4611062)
IC50
0.400000±n/a nM
Citation
 Burmistrov, V; Morisseau, C; D'yachenko, V; Karlov, D; Butov, GM; Hammock, BD Imidazolidine-2,4,5- and pirimidine-2,4,6-triones - New primary pharmacophore for soluble epoxide hydrolase inhibitors with enhanced water solubility. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50539380
Synonyms:
CHEMBL4643551
Type:
Small organic molecule
Emp. Form.:
C24H31ClN2O4
Mol. Mass.:
446.967
SMILES:
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(Cl)(C4)C2)C3)cc1 |r,wU:8.7,wD:11.14,TLB:21:22:26.20.19:27,28:18:26:23.21.22,THB:17:18:26:23.21.22,21:20:27:23.22.28,28:22:26:19.18.27,(68.54,-12.24,;67.2,-11.47,;67.19,-9.93,;65.85,-12.25,;64.52,-11.49,;63.2,-12.26,;63.19,-13.8,;61.86,-14.59,;60.5,-13.83,;59.18,-14.61,;57.83,-13.86,;57.8,-12.32,;59.16,-11.51,;60.49,-12.28,;56.43,-11.59,;55.12,-12.42,;55.19,-13.97,;53.75,-11.71,;52.39,-12.42,;50.86,-11.93,;49.4,-12.53,;49.41,-14.04,;50.97,-14.5,;50.12,-13.34,;50.07,-11.93,;49.76,-10.42,;48.44,-11.3,;51.44,-11.36,;52.38,-13.93,;64.53,-14.57,;65.86,-13.8,)|
Structure:
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