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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: DB11186
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational
SmallMoleculeDrug DB11186 Pentoxyverine Thumb


4 known interactions (targets) of input drug (DB11186): Pentoxyverine
No. Gene UniProt ID Protein Name Pathway PDB
1 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA
2 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH
3 SIGMAR1 Q99720 Sigma non-opioid intracellular receptor 1 NA NA
4 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 (DB11186): Pentoxyverine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 OPRD1 P41143 Delta-type opioid receptor hsa04022; hsa04071; hsa04080 1OZC; 2IQM; 4N6H; 4RWA; 4RWD 68.8%
2 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 45.6%
3 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 43.9%
4 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 41.9%
5 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 41.7%
6 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA 40.0%
7 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 39.7%
8 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 39.0%
9 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 38.9%
10 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 37.5%
11 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 37.2%
12 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 36.1%
13 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 35.7%
14 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 35.6%
15 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 35.6%
16 CHRM5 P08912 Muscarinic acetylcholine receptor M5 hsa04020; hsa04080; hsa04725; hsa04810 NA 35.3%
17 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 35.2%
18 OPRL1 P41146 Nociceptin receptor hsa04080 4EA3; 5DHG; 5DHH 35.0%
19 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA 34.8%
20 CHRM2 P08172 Muscarinic acetylcholine receptor M2 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 1LUB; 3UON; 4MQS; 4MQT 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.