Cavasotto Lab

GDD
GPCR Decoy Database

GDD and GLL Download Page

GLL and GDD are developed by the Cavasotto Laboratory, and are freely available to the community. The ZINC database is used by permission. Please cite GLL/GDD as: Gatica E.A. and Cavasotto C.N., Ligand and Decoy Sets for Docking to G Protein-Coupled Receptors, J. Chem Inf. Model., in press, http://dx.doi.org/10.1021/ci200412p. In this paper, we also showed the performance in docking of the GDD evaluated on 19 GPCRs compared to bias-uncorrected decoys sets, together with an assessment of the use of different charge-related properties in decoy generation. For comments, please contact Claudio Cavasotto at support@cavasotto-lab.net.

Main GDD page

Complete sets:

Packages by target/ligand activity:

5-hydroxytryptamine receptor 1A (5HT1A_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 1B (5HT1B_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 1D (5HT1D_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 1E (5HT1E_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 1F (5HT1F_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 2A (5HT2A_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 2B (5HT2B_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 2C (5HT2C_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 4 (5HT4R_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 5A (5HT5A_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 6 (5HT6R_HUMAN) - Agonist; Antagonist
5-hydroxytryptamine receptor 7 (5HT7R_HUMAN) - Agonist; Antagonist
Adenosine receptor A1 (AA1R_HUMAN) - Agonist; Antagonist
Adenosine receptor A2a (AA2AR_HUMAN) - Agonist; Antagonist
Adenosine receptor A2b (AA2BR_HUMAN) - Agonist; Antagonist
Adenosine receptor A3 (AA3R_HUMAN) - Agonist; Antagonist
Alpha-1A adrenergic receptor (ADA1A_HUMAN) - Agonist; Antagonist
Alpha-1B adrenergic receptor (ADA1B_HUMAN) - Agonist; Antagonist
Alpha-1D adrenergic receptor (ADA1D_HUMAN) - Agonist; Antagonist
Alpha-2A adrenergic receptor (ADA2A_HUMAN) - Agonist; Antagonist
Alpha-2B adrenergic receptor (ADA2B_HUMAN) - Agonist; Antagonist
Alpha-2C adrenergic receptor (ADA2C_HUMAN) - Agonist; Antagonist
B1 bradykinin receptor (BKRB1_HUMAN) - Antagonist
B2 bradykinin receptor (BKRB2_HUMAN) - Antagonist
Beta-1 adrenergic receptor (ADRB1_HUMAN) - Agonist; Antagonist
Beta-2 adrenergic receptor (ADRB2_HUMAN) - Agonist; Antagonist
Beta-3 adrenergic receptor (ADRB3_HUMAN) - Agonist; Antagonist
Bombesin receptor subtype-3 (BRS3_HUMAN) - Antagonist
C-C chemokine receptor type 5 (CCR5_HUMAN) - Antagonist
Cannabinoid receptor 1 (CNR1_HUMAN) - Agonist
Cannabinoid receptor 2 (CNR2_HUMAN) - Agonist
Cholecystokinin receptor type A (CCKAR_HUMAN) - Agonist; Antagonist
Cysteinyl leukotriene receptor 1 (CLTR1_HUMAN) - Antagonist
D(1A) dopamine receptor (DRD1_HUMAN) - Agonist; Antagonist
D(1B) dopamine receptor (DRD5_HUMAN) - Agonist; Antagonist
D(2) dopamine receptor (DRD2_HUMAN) - Agonist; Antagonist
D(3) dopamine receptor (DRD3_HUMAN) - Agonist; Antagonist
D(4) dopamine receptor (DRD4_HUMAN) - Agonist; Antagonist
Delta-type opioid receptor (OPRD_HUMAN) - Agonist; Antagonist
Endothelin B receptor (EDNRB_HUMAN) - Agonist; Antagonist
Endothelin-1 receptor (EDNRA_HUMAN) - Agonist; Antagonist
Gastrin-releasing peptide receptor (GRPR_HUMAN) - Antagonist
Gastrin/cholecystokinin type B receptor (GASR_HUMAN) - Agonist; Antagonist
Histamine H1 receptor (HRH1_HUMAN) - Agonist; Antagonist
Histamine H2 receptor (HRH2_HUMAN) - Agonist; Antagonist
Histamine H3 receptor (HRH3_HUMAN) - Agonist; Antagonist
Histamine H4 receptor (HRH4_HUMAN) - Agonist; Antagonist
Kappa-type opioid receptor (OPRK_HUMAN) - Agonist; Antagonist
Leukotriene B4 receptor 1 (LT4R1_HUMAN) - Agonist; Antagonist
Leukotriene B4 receptor 2 (LT4R2_HUMAN) - Agonist; Antagonist
Lutropin-choriogonadotropic hormone receptor (LSHR_HUMAN) - Antagonist
Melatonin receptor type 1A (MTR1A_HUMAN) - Agonist; Antagonist
Melatonin receptor type 1B (MTR1B_HUMAN) - Agonist; Antagonist
Melatonin-related receptor (MTR1L_HUMAN) - Agonist; Antagonist
Mu-type opioid receptor (OPRM_HUMAN) - Agonist; Antagonist
Muscarinic acetylcholine receptor M1 (ACM1_HUMAN) - Agonist; Antagonist
Muscarinic acetylcholine receptor M2 (ACM2_HUMAN) - Agonist; Antagonist
Muscarinic acetylcholine receptor M3 (ACM3_HUMAN) - Agonist; Antagonist
Muscarinic acetylcholine receptor M4 (ACM4_HUMAN) - Agonist; Antagonist
Muscarinic acetylcholine receptor M5 (ACM5_HUMAN) - Agonist; Antagonist
Neuromedin-B receptor (NMBR_HUMAN) - Antagonist
Neuromedin-K receptor (NK3R_HUMAN) - Antagonist
Neurotensin receptor type 1 (NTR1_HUMAN) - Antagonist
Neurotensin receptor type 2 (NTR2_HUMAN) - Antagonist
Nociceptin receptor (OPRX_HUMAN) - Antagonist
Oxytocin receptor (OXYR_HUMAN) - Antagonist
Platelet-activating factor receptor (PAFR_HUMAN) - Antagonist
Prostacyclin receptor (PI2R_HUMAN) - Agonist
Prostaglandin D2 receptor (PD2R_HUMAN) - Agonist; Antagonist
Prostaglandin E2 receptor EP1 subtype (PE2R1_HUMAN) - Agonist; Antagonist
Prostaglandin E2 receptor EP2 subtype (PE2R2_HUMAN) - Agonist; Antagonist
Prostaglandin E2 receptor EP3 subtype (PE2R3_HUMAN) - Agonist; Antagonist
Prostaglandin E2 receptor EP4 subtype (PE2R4_HUMAN) - Agonist; Antagonist
Prostaglandin F2-alpha receptor (PF2R_HUMAN) - Agonist; Antagonist
Putative G-protein coupled receptor 44 (GPR44_HUMAN) - Agonist
Relaxin-3 receptor 2 (R3R2_HUMAN) - Antagonist
Somatostatin receptor type 1 (SSR1_HUMAN) - Antagonist
Somatostatin receptor type 2 (SSR2_HUMAN) - Antagonist
Somatostatin receptor type 3 (SSR3_HUMAN) - Antagonist
Somatostatin receptor type 4 (SSR4_HUMAN) - Antagonist
Somatostatin receptor type 5 (SSR5_HUMAN) - Antagonist
Substance-K receptor (NK2R_HUMAN) - Antagonist
Substance-P receptor (NK1R_HUMAN) - Antagonist
Thromboxane A2 receptor (TA2R_HUMAN) - Agonist; Antagonist
Type-1 angiotensin II receptor (AG2R_HUMAN) - Antagonist
Type-2 angiotensin II receptor (AG22_HUMAN) - Antagonist
Vasopressin V1a receptor (V1AR_HUMAN) - Antagonist
Vasopressin V1b receptor (V1BR_HUMAN) - Antagonist
Vasopressin V2 receptor (V2R_HUMAN) - Antagonist