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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: DB03065
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03065 7-Nitroindazole-2-Carboxamidine Thumb


1 known interactions (targets) of input drug (DB03065): 7-Nitroindazole-2-Carboxamidine
No. Gene UniProt ID Protein Name Pathway PDB
1 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P


16 predicted interactions (targets) of input drug (DB03065): 7-Nitroindazole-2-Carboxamidine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NOS2 P35228 Nitric oxide synthase, inducible hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222 1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS 33.5%
2 NOS1 P29475 Nitric oxide synthase, brain hsa00220; hsa00330; hsa01100; hsa04020; hsa04145; hsa04371; hsa04713; hsa04730; hsa04926; hsa04970; hsa05010; hsa05014 4D1N; 4UCH; 4UH5; 4UH6; 4V3U; 5ADF; 5ADG; 5ADI 29.2%
3 ASS1 P00966 Argininosuccinate synthase hsa00220; hsa00250; hsa01100; hsa01230; hsa05418 2NZ2 13.2%
4 PNP P00491 Purine nucleoside phosphorylase hsa00230; hsa00240; hsa00760; hsa01100 12.4%
5 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 12.0%
6 TLR4 O00206 Toll-like receptor 4 hsa04064; hsa04066; hsa04145; hsa04151; hsa04217; hsa04620; hsa04621; hsa05130; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05144; hsa05145; hsa05146; hsa05152; hsa05161; hsa05162; hsa05164; hsa05170; hsa05205; hsa05321; hsa05323 2Z62; 2Z63; 2Z65; 2Z66; 3FXI; 3UL7; 3UL8; 3UL9; 3ULA; 4G8A 11.9%
7 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA 11.9%
8 CACNA1C Q13936 Voltage-dependent L-type calcium channel subunit alpha-1C hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04742; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 1T0J; 2BE6; 2F3Y; 2F3Z; 2LQC; 3G43; 3OXQ 11.7%
9 DECR1 Q16698 2,4-dienoyl-CoA reductase, mitochondrial NA 1W6U; 1W73; 1W8D 11.7%
10 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 11.4%
11 DHFR P00374 Dihydrofolate reductase hsa00670; hsa00790; hsa01100; hsa01523 11.2%
12 HTR1D P28221 5-hydroxytryptamine receptor 1D hsa04024; hsa04080; hsa04726; hsa04742 NA 10.3%
13 KCNJ11 Q14654 ATP-sensitive inward rectifier potassium channel 11 hsa04911; hsa04930 NA 10.2%
14 PADI2 Q9Y2J8 Protein-arginine deiminase type-2 NA 4N20; 4N22; 4N24; 4N25; 4N26; 4N28; 4N2A; 4N2B; 4N2C; 4N2D; 4N2E; 4N2F; 4N2G; 4N2H; 4N2I; 4N2K; 4N2L; 4N2M; 4N2N 10.1%
15 PGM1 P36871 Phosphoglucomutase-1 hsa00010; hsa00030; hsa00052; hsa00230; hsa00500; hsa00520; hsa01100 NA 10.1%
16 HCAR3 P49019 Hydroxycarboxylic acid receptor 3 hsa04024 NA 10.0%


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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.