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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB08838
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental;
Investigational		 SmallMoleculeDrug DB08838 Agmatine Thumb


7 known interactions (targets) of input drug (DB08838): Agmatine
No. Gene UniProt ID Protein Name Pathway PDB
1 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA
2 CACNA1B Q00975 Voltage-dependent N-type calcium channel subunit alpha-1B hsa04010; hsa04020; hsa04721; hsa04723; hsa04725; hsa04726; hsa04727; hsa04728; hsa04930; hsa05032; hsa05033 2LCM
3 NISCH Q9Y2I1 Nischarin NA 3P0C
4 KCNJ1 P48048 ATP-sensitive inward rectifier potassium channel 1 hsa04960; hsa04971 NA
5 ASIC3 Q9UHC3 Acid-sensing ion channel 3 hsa04750 NA
6 CHRNA1 P02708 Acetylcholine receptor subunit alpha hsa04080 1Y5P; 1Y5T; 1Y6C; 4ZJS
7 GRIN1 Q05586 Glutamate receptor ionotropic, NMDA 1 hsa04014; hsa04015; hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa05010; hsa05014; hsa05016; hsa05030; hsa05031; hsa05033; hsa05034 2HQW; 2NR1; 3BYA


20 predicted interactions (targets) of input drug (DB08838): Agmatine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 68.2%
2 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 58.3%
3 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 55.6%
4 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 54.3%
5 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 50.3%
6 GRIN2A Q12879 Glutamate receptor ionotropic, NMDA 2A hsa04014; hsa04015; hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa04728; hsa05010; hsa05014; hsa05030; hsa05031; hsa05033; hsa05034; hsa05322 3NFL 49.1%
7 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 48.9%
8 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 48.3%
9 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 46.6%
10 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 46.6%
11 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 46.3%
12 DRD4 P21917 D(4) dopamine receptor hsa04080; hsa04728 NA 45.6%
13 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 45.2%
14 GRIN2D O15399 Glutamate receptor ionotropic, NMDA 2D hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa05010; hsa05014; hsa05030; hsa05031; hsa05033; hsa05034 NA 45.2%
15 GRIN2B Q13224 Glutamate receptor ionotropic, NMDA 2B hsa04014; hsa04015; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa04728; hsa05010; hsa05014; hsa05016; hsa05030; hsa05031; hsa05033; hsa05034; hsa05322 1S11; 1S2S; 2IPV 45.1%
16 HTR2B P41595 5-hydroxytryptamine receptor 2B hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 4IB4; 4NC3 44.3%
17 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 44.2%
18 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 43.9%
19 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 43.0%
20 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 42.1%


  logl

Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.