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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: DB00922
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational
SmallMoleculeDrug DB00922 Levosimendan Thumb


4 known interactions (targets) of input drug (DB00922): Levosimendan
No. Gene UniProt ID Protein Name Pathway PDB
1 KCNJ11 Q14654 ATP-sensitive inward rectifier potassium channel 11 hsa04911; hsa04930 NA
2 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC
3 TNNC1 P63316 Troponin C, slow skeletal and cardiac muscles hsa04020; hsa04260; hsa04261; hsa05410; hsa05414
4 KCNJ8 Q15842 ATP-sensitive inward rectifier potassium channel 8 hsa04022 NA


20 predicted interactions (targets) of input drug (DB00922): Levosimendan
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 KCNJ1 P48048 ATP-sensitive inward rectifier potassium channel 1 hsa04960; hsa04971 NA 36.2%
2 KCNJ12 Q14500 ATP-sensitive inward rectifier potassium channel 12 hsa04725; hsa04921 NA 34.0%
3 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 29.2%
4 ABCC8 Q09428 ATP-binding cassette sub-family C member 8 hsa02010; hsa04911; hsa04930 NA 28.6%
5 CACNA2D2 Q9NY47 Voltage-dependent calcium channel subunit alpha-2/delta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 28.3%
6 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 28.2%
7 KCNJ15 Q99712 ATP-sensitive inward rectifier potassium channel 15 hsa04971 NA 27.8%
8 CACNA1A O00555 Voltage-dependent P/Q-type calcium channel subunit alpha-1A hsa04010; hsa04020; hsa04721; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04730; hsa04742; hsa04930; hsa05032; hsa05033 3BXK 26.9%
9 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 26.0%
10 CACNG1 Q06432 Voltage-dependent calcium channel gamma-1 subunit hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 26.0%
11 PDE1B Q01064 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXR; 1TAZ; 4NPV; 4NPW 25.7%
12 PDE1A P54750 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXQ 25.6%
13 CACNB1 Q02641 Voltage-dependent L-type calcium channel subunit beta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 25.6%
14 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 25.5%
15 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 25.3%
16 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 25.2%
17 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 24.6%
18 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 24.4%
19 CACNA2D1 P54289 Voltage-dependent calcium channel subunit alpha-2/delta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 24.4%
20 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 24.3%



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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.