7SVP

Structure of compound 34 bound to human Phospholipase D2 catalytic domain

Summary for 7SVP

Entry DOI	10.2210/pdb7svp/pdb
Descriptor	Phospholipase D2, 1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one (3 entities in total)
Functional Keywords	phosphodiesterase, hkd motif, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	292929.14
Authors	Metrick, C.M.,Chodaparambil, J.V. (deposition date: 2021-11-19, release date: 2023-01-25, Last modification date: 2023-10-25)
Primary citation	May-Dracka, T.L.,Gao, F.,Hopkins, B.T.,Hronowski, X.,Chen, T.,Chodaparambil, J.V.,Metrick, C.M.,Cullivan, M.,Enyedy, I.,Kaliszczak, M.,Kankel, M.W.,Marx, I.,Michell-Robinson, M.A.,Murugan, P.,Kumar, P.R.,Rooney, M.,Schuman, E.,Sen, A.,Wang, T.,Ye, T.,Peterson, E.A. Discovery of Phospholipase D Inhibitors with Improved Drug-like Properties and Central Nervous System Penetrance. Acs Med.Chem.Lett., 13:665-673, 2022 Cited by PubMed: 35450377 DOI: 10.1021/acsmedchemlett.1c00682 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation