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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: DB00241
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Illicit		 SmallMoleculeDrug DB00241 Butalbital Thumb


20 known interactions (targets) of input drug (DB00241): Butalbital
No. Gene UniProt ID Protein Name Pathway PDB
1 GABRA5 P31644 Gamma-aminobutyric acid receptor subunit alpha-5 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
2 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY
3 GABRP O00591 Gamma-aminobutyric acid receptor subunit pi hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
4 GABRA3 P34903 Gamma-aminobutyric acid receptor subunit alpha-3 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
5 GABRE P78334 Gamma-aminobutyric acid receptor subunit epsilon hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
6 GRIK2 Q13002 Glutamate receptor ionotropic, kainate 2 hsa04080; hsa04724 3QXM
7 GABRA4 P48169 Gamma-aminobutyric acid receptor subunit alpha-4 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
8 GABRD O14764 Gamma-aminobutyric acid receptor subunit delta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
9 GABRB1 P18505 Gamma-aminobutyric acid receptor subunit beta-1 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA
10 GABRA2 P47869 Gamma-aminobutyric acid receptor subunit alpha-2 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
11 GABRG1 Q8N1C3 Gamma-aminobutyric acid receptor subunit gamma-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
12 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN
13 GRIA2 P42262 Glutamate receptor 2 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05030; hsa05031; hsa05033 2WJW; 2WJX; 2XHD; 3R7X; 3RN8; 3RNN; 3UA8
14 GABRQ Q9UN88 Gamma-aminobutyric acid receptor subunit theta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
15 GABRA1 P14867 Gamma-aminobutyric acid receptor subunit alpha-1 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
16 GABRG2 P18507 Gamma-aminobutyric acid receptor subunit gamma-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA
17 GABRA6 Q16445 Gamma-aminobutyric acid receptor subunit alpha-6 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA
18 GABRB2 P47870 Gamma-aminobutyric acid receptor subunit beta-2 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA
19 GABRB3 P28472 Gamma-aminobutyric acid receptor subunit beta-3 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 4COF
20 GABRG3 Q99928 Gamma-aminobutyric acid receptor subunit gamma-3 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA


20 predicted interactions (targets) of input drug (DB00241): Butalbital
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 GABRR1 P24046 Gamma-aminobutyric acid receptor subunit rho-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 75.1%
2 GABRR2 P28476 Gamma-aminobutyric acid receptor subunit rho-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 73.2%
3 GABRR3 A8MPY1 Gamma-aminobutyric acid receptor subunit rho-3 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 69.0%
4 TSPO P30536 Translocator protein hsa04080; hsa04979; hsa05166 NA 68.5%
5 GLRA1 P23415 Glycine receptor subunit alpha-1 hsa04080 1MOT; 1VRY; 2M6B; 2M6I; 4X5T 58.3%
6 ATP5D P30049 ATP synthase subunit delta, mitochondrial hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 49.9%
7 ATP2C1 P98194 Calcium-transporting ATPase type 2C member 1 NA NA 47.5%
8 GRIA1 P42261 Glutamate receptor 1 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05031; hsa05033 NA 47.3%
9 KCNA1 Q09470 Potassium voltage-gated channel subfamily A member 1 NA 2AFL 45.9%
10 CHRNB2 P17787 Neuronal acetylcholine receptor subunit beta-2 hsa04080; hsa04725; hsa05033 2GVT; 2K58; 2K59; 2KSR; 2LM2 45.3%
11 GLRA2 P23416 Glycine receptor subunit alpha-2 hsa04080 NA 43.7%
12 MT-ND1 P03886 NADH-ubiquinone oxidoreductase chain 1 hsa00190; hsa01100; hsa04714; hsa04723; hsa05012 NA 41.3%
13 GRIN2B Q13224 Glutamate receptor ionotropic, NMDA 2B hsa04014; hsa04015; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa04728; hsa05010; hsa05014; hsa05016; hsa05030; hsa05031; hsa05033; hsa05034; hsa05322 1S11; 1S2S; 2IPV 40.2%
14 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 38.1%
15 CALM1 P0DP23 Calmodulin NA 36.5%
16 GRIN3B O60391 Glutamate receptor ionotropic, NMDA 3B hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 35.4%
17 GLRA3 O75311 Glycine receptor subunit alpha-3 hsa04080 5CFB 35.0%
18 GRIN2D O15399 Glutamate receptor ionotropic, NMDA 2D hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa05010; hsa05014; hsa05030; hsa05031; hsa05033; hsa05034 NA 34.3%
19 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 33.4%
20 GRIN2C Q14957 Glutamate receptor ionotropic, NMDA 2C hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa05010; hsa05014; hsa05030; hsa05031; hsa05033; hsa05034 NA 33.3%


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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.