6YL4

Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide

Summary for 6YL4

Entry DOI	10.2210/pdb6yl4/pdb
Descriptor	Bifunctional epoxide hydrolase 2, 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide (3 entities in total)
Functional Keywords	inhibitor, complex, seh, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	40174.05
Authors	Kramer, J.S.,Pogoryelov, D.,Hiesinger, K.,Proschak, E. (deposition date: 2020-04-06, release date: 2020-10-21, Last modification date: 2021-02-24)
Primary citation	Hiesinger, K.,Kramer, J.S.,Beyer, S.,Eckes, T.,Brunst, S.,Flauaus, C.,Wittmann, S.K.,Weizel, L.,Kaiser, A.,Kretschmer, S.B.M.,George, S.,Angioni, C.,Heering, J.,Geisslinger, G.,Schubert-Zsilavecz, M.,Schmidtko, A.,Pogoryelov, D.,Pfeilschifter, J.,Hofmann, B.,Steinhilber, D.,Schwalm, S.,Proschak, E. Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase. J.Med.Chem., 63:11498-11521, 2020 Cited by PubMed: 33044073 DOI: 10.1021/acs.jmedchem.0c00561 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.001 Å)

Structure validation