Table 1: Activity classes used in MDDR database [15].

Activity Class Abbreviation Biological Function Number of
Active Structures
5HT1A agonists 5HT1A Treatment of anxiety and depression 827
5HT3 antagonists 5HT3 Treatment for nausea and vomiting 752
5HT reuptake inhibitors 5HT Reuptake 359
Angiotensin II AT1 antagonists AT1 Treatment for hypertension, diabetes nephropathy and cognitive heart failure 943
Cyclo-oxygenase inhibitors COX Relief inflammation and pain 636
D2 antagonists D2 Treatment for symptoms of schizophrenia 395
HIV protease inhibitors HIVP Prevent viral replication 750
Protein kinase C inhibitors PKC Regulate cell growth and transcription, mediate immune response and modulate membrane structure 453
Renin inhibitors Renin Reduce blood pressure and treatment for hypertension 1130
Substance P inhibitors SubP Associated with intense and chronic pain 1246
Thrombin inhibitors Thrombin Delay blood clotting 803