6C7I
Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-methoxy-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Summary for 6C7I
Entry DOI | 10.2210/pdb6c7i/pdb |
Descriptor | cGMP-dependent 3',5'-cyclic phosphodiesterase, 1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[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 | 161693.73 |
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: 30070482DOI: 10.1021/acs.jmedchem.8b00713 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.713 Å) |
Structure validation
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