6C7G

Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chloro-5-isobutoxy-phenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

Summary for 6C7G

Entry DOI	10.2210/pdb6c7g/pdb
Descriptor	cGMP-dependent 3',5'-cyclic phosphodiesterase, 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, ZINC ION, ... (5 entities in total)
Functional Keywords	phosphodiesterase, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	162174.50
Authors	Xu, R.,Aertgeerts, K. (deposition date: 2018-01-22, release date: 2018-08-15, Last modification date: 2024-03-13)
Primary citation	Gomez, L.,Xu, R.,Sinko, W.,Selfridge, B.,Vernier, W.,Ly, K.,Truong, R.,Metz, M.,Marrone, T.,Sebring, K.,Yan, Y.,Appleton, B.,Aertgeerts, K.,Massari, M.E.,Breitenbucher, J.G. Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61:7754-7766, 2018 Cited by PubMed: 30070482 DOI: 10.1021/acs.jmedchem.8b00713 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.68 Å)

Structure validation