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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: DB00865
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Illicit
SmallMoleculeDrug DB00865 Benzphetamine Thumb


4 known interactions (targets) of input drug (DB00865): Benzphetamine
No. Gene UniProt ID Protein Name Pathway PDB
1 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA
2 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA
3 SLC18A2 Q05940 Synaptic vesicular amine transporter hsa04721; hsa04726; hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA
4 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF


20 predicted interactions (targets) of input drug (DB00865): Benzphetamine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 78.5%
2 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 78.1%
3 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 75.4%
4 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 74.9%
5 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 72.7%
6 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 70.3%
7 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 60.2%
8 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 58.3%
9 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 58.0%
10 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 56.4%
11 ADRB2 P07550 Beta-2 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970 1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX 55.0%
12 HTR7 P34969 5-hydroxytryptamine receptor 7 hsa04014; hsa04020; hsa04080; hsa04726 NA 53.9%
13 SLC18A1 P54219 Chromaffin granule amine transporter hsa04721; hsa04726; hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 53.4%
14 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 51.9%
15 HTR2B P41595 5-hydroxytryptamine receptor 2B hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 4IB4; 4NC3 50.5%
16 HTR6 P50406 5-hydroxytryptamine receptor 6 hsa04020; hsa04024; hsa04080; hsa04726 NA 50.3%
17 DRD4 P21917 D(4) dopamine receptor hsa04080; hsa04728 NA 50.2%
18 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 50.0%
19 HTR1D P28221 5-hydroxytryptamine receptor 1D hsa04024; hsa04080; hsa04726; hsa04742 NA 49.7%
20 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 49.5%



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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.