Spatial requirements of the antagonist binding site of the NK2 receptor.
Computer-aided modelling has been used to identify a putative antagonist binding site in the tachykinin NK2 receptor. In order to validate the implied spatial requirements for this region, a series of compounds, based on the potent antagonist GR 149861 have been synthesised and their binding affinities established. Our findings suggest the presence of a large hydrophobic cavity in the putative binding crevice of GR 149861.
School of Chemistry, University of Leeds, UK.
M A
MA
Ali
N
N
Bhogal
C W
CW
Fishwick
J B
JB
Findlay
D001665:Binding Sites; D007211:Indoles / Q000737:chemistry* / Q000494:pharmacology; D008782:Methylurea Compounds / Q000737:chemistry / Q000494:pharmacology; D008958:Models, Molecular; D008968:Molecular Conformation; D009025:Morpholines / Q000737:chemistry / Q000494:pharmacology; D010880:Piperidines / Q000737:chemistry* / Q000494:pharmacology; D011487:Protein Conformation; D018041:Receptors, Neurokinin-2 / Q000037:antagonists & inhibitors / Q000737:chemistry*; D013329:Structure-Activity Relationship
C429424:GR 149861; D007211:Indoles; D008782:Methylurea Compounds; D009025:Morpholines; D010880:Piperidines; D018041:Receptors, Neurokinin-2; C110304:SR 144190