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6C7F

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

Summary for 6C7F
Entry DOI10.2210/pdb6c7f/pdb
DescriptorcGMP-dependent 3',5'-cyclic phosphodiesterase, 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, ZINC ION, ... (5 entities in total)
Functional Keywordsphosphodiesterase, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains3
Total formula weight121270.30
Authors
Xu, R.,Aertgeerts, K. (deposition date: 2018-01-22, release date: 2018-08-15, Last modification date: 2024-03-13)
Primary citationGomez, 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 (1.82 Å)
Structure validation

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