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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: DB01199
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB01199 Tubocurarine Thumb


4 known interactions (targets) of input drug (DB01199): Tubocurarine
No. Gene UniProt ID Protein Name Pathway PDB
1 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 2XYT; 3PMZ;
2 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN
3 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE
4 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA


20 predicted interactions (targets) of input drug (DB01199): Tubocurarine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 62.7%
2 CHRNB2 P17787 Neuronal acetylcholine receptor subunit beta-2 hsa04080; hsa04725; hsa05033 2GVT; 2K58; 2K59; 2KSR; 2LM2 49.1%
3 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 45.9%
4 BCHE P06276 Cholinesterase NA 40.3%
5 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 38.4%
6 CHRNA3 P32297 Neuronal acetylcholine receptor subunit alpha-3 hsa04080; hsa04725 4ZK4 38.2%
7 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 37.5%
8 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 36.8%
9 CHRNA9 Q9UGM1 Neuronal acetylcholine receptor subunit alpha-9 hsa04080 4D01; 4UXU; 4UY2 35.9%
10 CHRNA10 Q9GZZ6 Neuronal acetylcholine receptor subunit alpha-10 hsa04080 NA 35.6%
11 CHRNB4 P30926 Neuronal acetylcholine receptor subunit beta-4 hsa04080; hsa04725 2ASG 34.7%
12 CALM1 P0DP23 Calmodulin NA 34.7%
13 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 33.8%
14 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 33.2%
15 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA 31.6%
16 GRIK2 Q13002 Glutamate receptor ionotropic, kainate 2 hsa04080; hsa04724 3QXM 31.2%
17 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 31.1%
18 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA 31.0%
19 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 31.0%
20 HTR7 P34969 5-hydroxytryptamine receptor 7 hsa04014; hsa04020; hsa04080; hsa04726 NA 30.6%


  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.