6FR2

Soluble epoxide hydrolase in complex with LK864

Summary for 6FR2

Entry DOI	10.2210/pdb6fr2/pdb
Descriptor	Bifunctional epoxide hydrolase 2, 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, MAGNESIUM ION, ... (4 entities in total)
Functional Keywords	inhibitor, complex, seh, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	40166.38
Authors	Kramer, J.S.,Pogoryelov, D.,Krasavin, M.,Proschak, E. (deposition date: 2018-02-15, release date: 2018-09-12, Last modification date: 2024-01-17)
Primary citation	Lukin, A.,Kramer, J.,Hartmann, M.,Weizel, L.,Hernandez-Olmos, V.,Falahati, K.,Burghardt, I.,Kalinchenkova, N.,Bagnyukova, D.,Zhurilo, N.,Rautio, J.,Forsberg, M.,Ihalainen, J.,Auriola, S.,Leppanen, J.,Konstantinov, I.,Pogoryelov, D.,Proschak, E.,Dar'in, D.,Krasavin, M. Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase. Bioorg. Chem., 80:655-667, 2018 Cited by PubMed: 30059891 DOI: 10.1016/j.bioorg.2018.07.014 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.262 Å)

Structure validation