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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: DB04556
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB04556 3-[(1s)-1-(Dimethylamino)Ethyl]Phenol Thumb


1 known interactions (targets) of input drug (DB04556): 3-[(1s)-1-(Dimethylamino)Ethyl]Phenol
No. Gene UniProt ID Protein Name Pathway PDB
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE


11 predicted interactions (targets) of input drug (DB04556): 3-[(1s)-1-(Dimethylamino)Ethyl]Phenol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 BCHE P06276 Cholinesterase NA 24.5%
2 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 16.0%
3 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 14.2%
4 HTR4 Q13639 5-hydroxytryptamine receptor 4 hsa04020; hsa04024; hsa04080; hsa04726 NA 12.6%
5 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 12.2%
6 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 12.2%
7 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 11.3%
8 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 11.2%
9 CALM1 P0DP23 Calmodulin NA 10.9%
10 ATP1A1 P05023 Sodium/potassium-transporting ATPase subunit alpha-1 hsa04022; hsa04024; hsa04260; hsa04261; hsa04911; hsa04918; hsa04919; hsa04925; hsa04960; hsa04961; hsa04964; hsa04970; hsa04971; hsa04972; hsa04973; hsa04974; hsa04976; hsa04978 NA 10.2%
11 CES1P1 Q9UKY3 Putative inactive carboxylesterase 4 NA NA 10.1%


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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.