4BBX

Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia

Summary for 4BBX

Entry DOI	10.2210/pdb4bbx/pdb
Related	1LRB 2WEY 2Y0J 4AEL 4AJD 4AJF 4AJG 4AJM
Descriptor	CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine, ZINC ION, ... (5 entities in total)
Functional Keywords	phosphodiesterase inhibitor, inhibitor complex, hydrolase, zinc binding, magnesium binding
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Cytoplasm: Q9Y233
Total number of polymer chains	2
Total formula weight	78873.80
Authors	Bartolome-Nebreda, J.M.,Conde-Ceide, S.,Delgado, F.,Martin, M.L.,Martinez-Viturro, C.M.,Pastor, J.,Tong, H.M.,Iturrino, L.,Macdonald, G.J.,Sanderson, W.,Megens, A.,Langlois, X.,Somers, M.,Vanhoof, G. (deposition date: 2012-09-28, release date: 2013-10-16, Last modification date: 2024-05-08)
Primary citation	Bartolome-Nebreda, J.M.,Delgado, F.,Martin, M.L.,Martinez-Viturro, C.M.,Pastor, J.,Tong, H.M.,Iturrino, L.,Macdonald, G.J.,Sanderson, W.E.,Megens, A.,Langlois, X.,Somers, M.,Vanhoof, G.,Conde Ceide, S. Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia. J.Med.Chem., 57:4196-, 2014 Cited by PubMed: 24758746 DOI: 10.1021/JM500073H PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation