+Search query
-Structure paper
Title | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine. |
---|---|
Journal, issue, pages | J. Med. Chem., Vol. 63, Page 7906-7920, Year 2020 |
Publish date | Jun 23, 2020 (structure data deposition date) |
Authors | Bucknell, S.J. / Ator, M.A. / Brown, A.J.H. / Brown, J. / Cansfield, A.D. / Cansfield, J.E. / Christopher, J.A. / Congreve, M. / Cseke, G. / Deflorian, F. ...Bucknell, S.J. / Ator, M.A. / Brown, A.J.H. / Brown, J. / Cansfield, A.D. / Cansfield, J.E. / Christopher, J.A. / Congreve, M. / Cseke, G. / Deflorian, F. / Jones, C.R. / Mason, J.S. / O'Brien, M.A. / Ott, G.R. / Pickworth, M. / Southall, S.M. |
External links | J. Med. Chem. / PubMed:32558564 |
Methods | X-ray diffraction |
Resolution | 1.6 - 1.73 Å |
Structure data | PDB-6zho: PDB-6zis: |
Chemicals | ChemComp-QLQ: ChemComp-PG4: ChemComp-HOH: ChemComp-3N6: |
Source |
|
Keywords | MEMBRANE PROTEIN / GPCR / CGRP / CLR / RAMP1 / ECD / COMPLEX |