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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: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P00966
No. Gene UniProt ID Protein Name Pathway PDB
1 ASS1 P00966 Argininosuccinate synthase hsa00220; hsa00250; hsa01100; hsa01230; hsa05418 2NZ2


4 known interactions (drugs) of input target (ASS1): Argininosuccinate synthase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00125 L-Arginine Thumb
2 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00155 L-Citrulline Thumb
3 Approved;
Nutraceutical		 SmallMoleculeDrug DB00128 L-Aspartic Acid Thumb
4 Investigational;
Nutraceutical		 SmallMoleculeDrug DB00171 ATP Thumb


20 predicted interactions (drugs) of input target (ASS1): Argininosuccinate synthase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00129 Ornithine Thumb 27.4%
2 Approved SmallMoleculeDrug DB01016 Glyburide Thumb 22.8%
3 Approved;
Nutraceutical		 SmallMoleculeDrug DB00123 L-Lysine Thumb 18.9%
4 Experimental;
Investigational		 SmallMoleculeDrug DB04216 Quercetin Thumb 18.4%
5 Experimental SmallMoleculeDrug DB04534 5-Nitroindazole Thumb 17.6%
6 Experimental SmallMoleculeDrug DB02207 7-Nitroindazole Thumb 17.5%
7 Approved SmallMoleculeDrug DB01138 Sulfinpyrazone Thumb 17.0%
8 Experimental SmallMoleculeDrug DB07008 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE Thumb 16.7%
9 Experimental SmallMoleculeDrug DB07007 (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine Thumb 16.5%
10 Experimental SmallMoleculeDrug DB02044 N-(3-(Aminomethyl)Benzyl)Acetamidine Thumb 16.3%
11 Experimental SmallMoleculeDrug DB03144 N-Omega-Hydroxy-L-Arginine Thumb 16.2%
12 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00145 Glycine Thumb 16.1%
13 Experimental SmallMoleculeDrug DB02011 N-(Phosphonoacetyl)-L-Ornithine Thumb 16.0%
14 Experimental SmallMoleculeDrug DB02234 S-Ethylisothiourea Thumb 15.8%
15 Approved;
Investigational		 SmallMoleculeDrug DB02701 Nicotinamide Thumb 15.8%
16 Experimental SmallMoleculeDrug DB01997 3-Bromo-7-Nitroindazole Thumb 15.5%
17 Experimental SmallMoleculeDrug DB06916 N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE Thumb 15.0%
18 Experimental SmallMoleculeDrug DB03953 L-Thiocitrulline Thumb 14.9%
19 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02772 Sucrose Thumb 14.7%
20 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00174 L-Asparagine Thumb 14.7%


  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.