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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: DB00204
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational
SmallMoleculeDrug DB00204 Dofetilide Thumb


3 known interactions (targets) of input drug (DB00204): Dofetilide
No. Gene UniProt ID Protein Name Pathway PDB
1 KCNJ12 Q14500 ATP-sensitive inward rectifier potassium channel 12 hsa04725; hsa04921 NA
2 KCNK2 O95069 Potassium channel subfamily K member 2 hsa04927; hsa04934; hsa04971 4TWK
3 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA


20 predicted interactions (targets) of input drug (DB00204): Dofetilide
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 32.9%
2 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 32.5%
3 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 30.6%
4 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 29.9%
5 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 29.2%
6 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 28.0%
7 KCNJ11 Q14654 ATP-sensitive inward rectifier potassium channel 11 hsa04911; hsa04930 NA 26.9%
8 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 25.4%
9 KCNH7 Q9NS40 Potassium voltage-gated channel subfamily H member 7 NA NA 25.4%
10 CACNA2D2 Q9NY47 Voltage-dependent calcium channel subunit alpha-2/delta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 24.4%
11 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 23.3%
12 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 22.9%
13 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 22.8%
14 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P 22.5%
15 HTR1B P28222 5-hydroxytryptamine receptor 1B hsa04024; hsa04080; hsa04726; hsa04742 2G1X; 4IAQ; 4IAR 22.5%
16 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 21.9%
17 KCNJ8 Q15842 ATP-sensitive inward rectifier potassium channel 8 hsa04022 NA 21.9%
18 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 21.9%
19 HTR1D P28221 5-hydroxytryptamine receptor 1D hsa04024; hsa04080; hsa04726; hsa04742 NA 20.6%
20 KCNJ1 P48048 ATP-sensitive inward rectifier potassium channel 1 hsa04960; hsa04971 NA 20.6%



  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.