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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: DB05688
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Investigational SmallMoleculeDrug DB05688 CRx-119 Thumb


2 known interactions (targets) of input drug (DB05688): CRx-119
No. Gene UniProt ID Protein Name Pathway PDB
1 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA
2 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA


20 predicted interactions (targets) of input drug (DB05688): CRx-119
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 66.9%
2 SLC18A2 Q05940 Synaptic vesicular amine transporter hsa04721; hsa04726; hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 38.0%
3 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 33.2%
4 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 32.3%
5 MAOB P27338 Amine oxidase [flavin-containing] B hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 31.1%
6 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 31.0%
7 MAOA P21397 Amine oxidase [flavin-containing] A hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 1H8Q; 2BXR; 2BXS; 2Z5X; 2Z5Y 30.0%
8 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 29.5%
9 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 28.6%
10 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 28.6%
11 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 28.5%
12 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 27.6%
13 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 27.3%
14 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 26.9%
15 SLC18A1 P54219 Chromaffin granule amine transporter hsa04721; hsa04726; hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 26.4%
16 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 26.2%
17 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 26.1%
18 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 26.1%
19 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 25.9%
20 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 25.7%



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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.