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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: DB00466
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Experimental SmallMoleculeDrug DB00466 Picrotoxin Thumb


5 known interactions (targets) of input drug (DB00466): Picrotoxin
No. Gene UniProt ID Protein Name Pathway PDB
1 GLRA1 P23415 Glycine receptor subunit alpha-1 hsa04080 1MOT; 1VRY; 2M6B; 2M6I; 4X5T
2 GLRA2 P23416 Glycine receptor subunit alpha-2 hsa04080 NA
3 GABRR1 P24046 Gamma-aminobutyric acid receptor subunit rho-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
4 GABRA1 P14867 Gamma-aminobutyric acid receptor subunit alpha-1 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
5 GLRA3 O75311 Glycine receptor subunit alpha-3 hsa04080 5CFB


20 predicted interactions (targets) of input drug (DB00466): Picrotoxin
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 GABRA2 P47869 Gamma-aminobutyric acid receptor subunit alpha-2 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 80.6%
2 GABRA5 P31644 Gamma-aminobutyric acid receptor subunit alpha-5 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 78.2%
3 GABRA3 P34903 Gamma-aminobutyric acid receptor subunit alpha-3 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 77.9%
4 GABRA6 Q16445 Gamma-aminobutyric acid receptor subunit alpha-6 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 75.0%
5 GABRB3 P28472 Gamma-aminobutyric acid receptor subunit beta-3 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 4COF 74.8%
6 GABRG2 P18507 Gamma-aminobutyric acid receptor subunit gamma-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 74.0%
7 GABRA4 P48169 Gamma-aminobutyric acid receptor subunit alpha-4 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 73.5%
8 GABRB2 P47870 Gamma-aminobutyric acid receptor subunit beta-2 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA 72.1%
9 GABRB1 P18505 Gamma-aminobutyric acid receptor subunit beta-1 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA 71.4%
10 GABRD O14764 Gamma-aminobutyric acid receptor subunit delta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 70.0%
11 GABRP O00591 Gamma-aminobutyric acid receptor subunit pi hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 69.1%
12 GABRG1 Q8N1C3 Gamma-aminobutyric acid receptor subunit gamma-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 68.0%
13 GABRG3 Q99928 Gamma-aminobutyric acid receptor subunit gamma-3 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 67.7%
14 GABRQ Q9UN88 Gamma-aminobutyric acid receptor subunit theta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 67.3%
15 GABRE P78334 Gamma-aminobutyric acid receptor subunit epsilon hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 66.8%
16 GABRR2 P28476 Gamma-aminobutyric acid receptor subunit rho-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 64.1%
17 GABRR3 A8MPY1 Gamma-aminobutyric acid receptor subunit rho-3 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 60.1%
18 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 57.0%
19 GRIK2 Q13002 Glutamate receptor ionotropic, kainate 2 hsa04080; hsa04724 3QXM 55.3%
20 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 53.1%



  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.