6V9S
Structure-based development of subtype-selective orexin 1 receptor antagonists
Summary for 6V9S
Entry DOI | 10.2210/pdb6v9s/pdb |
Descriptor | Orexin receptor type 1,GlgA glycogen synthase chimera, [(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone, CHOLESTEROL, ... (4 entities in total) |
Functional Keywords | gpcr, orexin receptor, selective ligand, signaling protein |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 1 |
Total formula weight | 63905.25 |
Authors | Hellmann, J.,Drabek, M.,Yin, J.,Huebner, H.,Kraus, F.,Proell, T.,Weikert, D.,Kolb, P.,Rosenbaum, D.M.,Gmeiner, P. (deposition date: 2019-12-16, release date: 2020-07-15, Last modification date: 2023-10-11) |
Primary citation | Hellmann, J.,Drabek, M.,Yin, J.,Gunera, J.,Proll, T.,Kraus, F.,Langmead, C.J.,Hubner, H.,Weikert, D.,Kolb, P.,Rosenbaum, D.M.,Gmeiner, P. Structure-based development of a subtype-selective orexin 1 receptor antagonist. Proc.Natl.Acad.Sci.USA, 117:18059-18067, 2020 Cited by PubMed: 32669442DOI: 10.1073/pnas.2002704117 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.5 Å) |
Structure validation
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