QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: DB00747
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00747 Scopolamine Thumb


8 known interactions (targets) of input drug (DB00747): Scopolamine
No. Gene UniProt ID Protein Name Pathway PDB
1 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY
2 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA
3 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA
4 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA
5 CHRM5 P08912 Muscarinic acetylcholine receptor M5 hsa04020; hsa04080; hsa04725; hsa04810 NA
6 SI P14410 Sucrase-isomaltase, intestinal hsa00052; hsa00500; hsa01100; hsa04973 3LPO; 3LPP
7 CHRM2 P08172 Muscarinic acetylcholine receptor M2 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 1LUB; 3UON; 4MQS; 4MQT
8 CHRNB2 P17787 Neuronal acetylcholine receptor subunit beta-2 hsa04080; hsa04725; hsa05033 2GVT; 2K58; 2K59; 2KSR; 2LM2


20 predicted interactions (targets) of input drug (DB00747): Scopolamine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 61.3%
2 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 59.7%
3 CHRNA3 P32297 Neuronal acetylcholine receptor subunit alpha-3 hsa04080; hsa04725 4ZK4 43.5%
4 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 43.5%
5 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 43.4%
6 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 41.1%
7 CALM1 P0DP23 Calmodulin NA 40.5%
8 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 40.3%
9 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 39.4%
10 HRH4 Q9H3N8 Histamine H4 receptor hsa04080 NA 39.3%
11 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 39.2%
12 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 38.6%
13 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 38.2%
14 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 37.3%
15 CHRNA10 Q9GZZ6 Neuronal acetylcholine receptor subunit alpha-10 hsa04080 NA 36.5%
16 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 36.2%
17 GLRA1 P23415 Glycine receptor subunit alpha-1 hsa04080 1MOT; 1VRY; 2M6B; 2M6I; 4X5T 35.5%
18 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 35.0%
19 GABRB3 P28472 Gamma-aminobutyric acid receptor subunit beta-3 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 4COF 34.6%
20 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 34.0%


  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.