3OTQ

Soluble Epoxide Hydrolase in complex with pyrazole antagonist

Summary for 3OTQ

Entry DOI	10.2210/pdb3otq/pdb
Descriptor	Epoxide hydrolase 2, N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide (3 entities in total)
Functional Keywords	epoxide hydrolase, hydrolase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P34913
Total number of polymer chains	1
Total formula weight	63055.04
Authors	Farrow, N.A. (deposition date: 2010-09-13, release date: 2010-10-27, Last modification date: 2024-02-21)
Primary citation	Lo, H.Y.,Man, C.C.,Fleck, R.W.,Farrow, N.A.,Ingraham, R.H.,Kukulka, A.,Proudfoot, J.R.,Betageri, R.,Kirrane, T.,Patel, U.,Sharma, R.,Hoermann, M.A.,Kabcenell, A.,Lombaert, S.D. Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain. Bioorg.Med.Chem.Lett., 20:6379-6383, 2010 Cited by PubMed Abstract: A novel series of pyrazole sEH inhibitors is reported. Lead optimization efforts to replace the aniline core are also described. In particular, 2-pyridine, 3-pyridine and pyridazine analogs are potent sEH inhibitors with favorable CYP3A4 inhibitory and microsomal stability profiles. PubMed: 20934334 DOI: 10.1016/j.bmcl.2010.09.095 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3 Å)

Structure validation