Rational Drug Design Against GPCRs: Application to CCK2 Antagonists

Process:

1. Identify 3 diverse actives for CCK-2 (top left)
2. Process these actives using FieldTemplater to generate a binding model (
   lower left)
3. Load 18 diverse actives with known CCK-2 binding affinities (lower right
   ) into FieldAlign together with the result from FieldTemplater
4. Use FieldAlign to score each of the 18 new molecules against the Field t
   emplate
5. Plot (top right) FieldAlign scores against measured CCK-2 affinities (Ra
   t stomach pKb), r²=0.75