4HF4

Crystal Structure of PDE10A with a biaryl ether inhibitor (1-(1-(3-(4-(benzo[d]thiazol-2-ylamino)phenoxy)pyrazin-2-yl)piperidin-4-yl)ethanol)

Summary for 4HF4

• Entry DOI: 10.2210/pdb4hf4/pdb
• Related: 4DDL 4HEU
• Descriptor: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, SULFATE ION, ... (6 entities in total)
• Functional Keywords: pde10a, phosphodiesterase 10a, biaryl ethers, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: Q9Y233
• Total number of polymer chains: 2
• Total formula weight: 76404.66

Authors

Chmait, S.,Jordan, S. (deposition date: 2012-10-04, release date: 2012-12-12)

• Primary citation: Rzasa, R.M.,Hu, E.,Rumfelt, S.,Chen, N.,Andrews, K.L.,Chmait, S.,Falsey, J.R.,Zhong, W.,Jones, A.D.,Porter, A.,Louie, S.W.,Zhao, X.,Treanor, J.J.,Allen, J.R.; Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux.; Bioorg.Med.Chem.Lett., 22:7371-7375, 2012; PubMed: 23149228; DOI: 10.1016/j.bmcl.2012.10.078

Experimental method

X-RAY DIFFRACTION (2 Å)