2XHD

Crystal structure of N-((2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H- inden-2-yl)-2-propanesulfonamide in complex with the ligand binding domain of the human GluA2 receptor

Summary for 2XHD

• Entry DOI: 10.2210/pdb2xhd/pdb
• Related: 2WJW 2WJX
• Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, SULFATE ION, ... (5 entities in total)
• Functional Keywords: transport protein, ion channel
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Cell membrane; Multi-pass membrane protein: P42262
• Total number of polymer chains: 2
• Total formula weight: 59664.61

Authors

Ward, S.E.,Harries, M.,Aldegheri, L.,Andreotti, D.,Ballantine, S.,Bax, B.D.,Harris, A.J.,Harker, A.J.,Lund, J.,Melarange, R.,Mingardi, A.,Mookherjee, C.,Mosley, J.,Neve, M.,Oliosi, B.,Profeta, R.,Smith, K.J.,Smith, P.W.,Spada, S.,Thewlis, K.M.,Yusaf, S.P. (deposition date: 2010-06-14, release date: 2010-07-21, Last modification date: 2024-11-20)

Primary citation

Ward, S.E.,Harries, M.,Aldegheri, L.,Andreotti, D.,Ballantine, S.,Bax, B.D.,Harris, A.J.,Harker, A.J.,Lund, J.,Melarange, R.,Mingardi, A.,Mookherjee, C.,Mosley, J.,Neve, M.,Oliosi, B.,Profeta, R.,Smith, K.J.,Smith, P.W.,Spada, S.,Thewlis, K.M.,Yusaf, S.P.
Discovery of N-[(2S)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1H-Inden-2-Yl]-2-Propanesulfonamide, a Novel Clinical Ampa Receptor Positive Modulator.
J.Med.Chem., 53:5801-, 2010

PubMed Abstract: A series of AMPA receptor positive allosteric modulators has been optimized from poorly penetrant leads to identify molecules with excellent preclinical pharmacokinetics and CNS penetration. These discoveries led to 17i, a potent, efficacious CNS penetrant molecule with an excellent pharmacokinetic profile across preclinical species, which is well tolerated and is also orally bioavailable in humans.

PubMed: 20614889
DOI: 10.1021/JM1005429

Experimental method

X-RAY DIFFRACTION (1.8 Å)