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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: DB02644
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Experimental SmallMoleculeDrug DB02644 N-Omega-Propyl-L-Arginine Thumb


2 known interactions (targets) of input drug (DB02644): N-Omega-Propyl-L-Arginine
No. Gene UniProt ID Protein Name Pathway PDB
1 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
2 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


20 predicted interactions (targets) of input drug (DB02644): N-Omega-Propyl-L-Arginine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
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 56.1%
2 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 18.7%
3 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX 17.8%
4 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032 16.7%
5 TLR9 Q9NR96 Toll-like receptor 9 hsa04620; hsa05142; hsa05143; hsa05144; hsa05152; hsa05162; hsa05168 NA 15.2%
6 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 14.3%
7 HIF1A Q16665 Hypoxia-inducible factor 1-alpha hsa04066; hsa04137; hsa04140; hsa04659; hsa04919; hsa05167; hsa05200; hsa05205; hsa05211; hsa05230; hsa05231 1D7G; 1H2K; 1H2L; 1H2M; 1L3E; 1L8C; 1LM8; 1LQB; 2ILM; 3HQR; 3HQU; 4AJY; 4H6J 14.2%
8 KCNMB1 Q16558 Calcium-activated potassium channel subunit beta-1 hsa04022; hsa04270; hsa04911 NA 13.9%
9 GPHN Q9NQX3 Gephyrin hsa00790; hsa01100; hsa04727 1JLJ 13.8%
10 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 13.7%
11 HAGH Q16775 Hydroxyacylglutathione hydrolase, mitochondrial hsa00620 1QH3; 1QH5; 2F50 13.7%
12 ODC1 P11926 Ornithine decarboxylase hsa00330; hsa00480; hsa01100 1D7K; 2ON3; 2OO0; 4ZGY 13.3%
13 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 12.9%
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 12.7%
15 OTC P00480 Ornithine carbamoyltransferase, mitochondrial hsa00220; hsa01100; hsa01230 1C9Y; 1EP9; 1FVO; 1OTH 12.5%
16 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 12.5%
17 PRSS1 P07477 Trypsin-1 hsa04080; hsa04972; hsa04974; hsa05164 1FXY; 1TRN; 2RA3; 4WWY; 4WXV 12.2%
18 GRIA2 P42262 Glutamate receptor 2 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05030; hsa05031; hsa05033 2WJW; 2WJX; 2XHD; 3R7X; 3RN8; 3RNN; 3UA8 11.8%
19 HAO1 Q9UJM8 Hydroxyacid oxidase 1 hsa00630; hsa01100; hsa01200; hsa04146 2NZL; 2RDT; 2RDU; 2RDW; 2W0U 11.6%
20 ASS1 P00966 Argininosuccinate synthase hsa00220; hsa00250; hsa01100; hsa01230; hsa05418 2NZ2 11.4%



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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.