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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: DB01338
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved SmallMoleculeDrug DB01338 Pipecuronium Thumb


3 known interactions (targets) of input drug (DB01338): Pipecuronium
No. Gene UniProt ID Protein Name Pathway PDB
1 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA
2 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA
3 CHRM2 P08172 Muscarinic acetylcholine receptor M2 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 1LUB; 3UON; 4MQS; 4MQT


20 predicted interactions (targets) of input drug (DB01338): Pipecuronium
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA 78.2%
2 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA 77.4%
3 CHRM5 P08912 Muscarinic acetylcholine receptor M5 hsa04020; hsa04080; hsa04725; hsa04810 NA 70.2%
4 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 34.0%
5 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 33.8%
6 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 33.8%
7 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 32.9%
8 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 32.7%
9 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 32.6%
10 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 31.5%
11 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 31.4%
12 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 30.6%
13 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 30.2%
14 HTR1D P28221 5-hydroxytryptamine receptor 1D hsa04024; hsa04080; hsa04726; hsa04742 NA 30.0%
15 HRH2 P25021 Histamine H2 receptor hsa04020; hsa04080; hsa04971 NA 29.4%
16 HTR1E P28566 5-hydroxytryptamine receptor 1E hsa04024; hsa04080; hsa04726; hsa04742 NA 28.5%
17 HTR6 P50406 5-hydroxytryptamine receptor 6 hsa04020; hsa04024; hsa04080; hsa04726 NA 27.2%
18 CHRNA10 Q9GZZ6 Neuronal acetylcholine receptor subunit alpha-10 hsa04080 NA 26.8%
19 HTR7 P34969 5-hydroxytryptamine receptor 7 hsa04014; hsa04020; hsa04080; hsa04726 NA 26.7%
20 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 26.6%



  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.