title: Atropisomeric small molecule Bcl-2 ligands: determination of bioactive conformation.
abstract: The separation of atropisomeric conformers of 1,2,3,4-tetrahydroisoquinoline amide Bcl-2 ligands allowed the identification of the bioactive conformer which was subsequently confirmed by X-ray crystallography.
authors.affiliation: UCB Celltech, 216 Bath Road, Slough SL1 3WE, UK.
authors.forename: John
authors.initials: J
authors.lastname: Porter
authors.forename: Andrew
authors.initials: A
authors.lastname: Payne
authors.forename: Ian
authors.initials: I
authors.lastname: Whitcombe
authors.forename: Ben
authors.initials: B
authors.lastname: de Candole
authors.forename: Daniel
authors.initials: D
authors.lastname: Ford
authors.forename: Rachel
authors.initials: R
authors.lastname: Garlish
authors.forename: Adam
authors.initials: A
authors.lastname: Hold
authors.forename: Brian
authors.initials: B
authors.lastname: Hutchinson
authors.forename: Graham
authors.initials: G
authors.lastname: Trevitt
authors.forename: James
authors.initials: J
authors.lastname: Turner
authors.forename: Chloe
authors.initials: C
authors.lastname: Edwards
authors.forename: Clare
authors.initials: C
authors.lastname: Watkins
authors.forename: Jeremy
authors.initials: J
authors.lastname: Davis
authors.forename: Colin
authors.initials: C
authors.lastname: Stubberfield
mesh_terms: D017209:Apoptosis; D001665:Binding Sites; D002626:Chemistry, Pharmaceutical / Q000379:methods*; D018360:Crystallography, X-Ray / Q000379:methods; D015195:Drug Design; D006801:Humans; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D015394:Molecular Structure; D011485:Protein Binding; D025941:Protein Interaction Mapping; D019253:Proto-Oncogene Proteins c-bcl-2 / Q000737:chemistry*; D013329:Structure-Activity Relationship; D044005:Tetrahydroisoquinolines / Q000737:chemistry*
chemical_list: D008024:Ligands; D019253:Proto-Oncogene Proteins c-bcl-2; D044005:Tetrahydroisoquinolines; C014843:1,2,3,4-tetrahydroisoquinoline