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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: DB00141
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00141 N-Acetylglucosamine Thumb


8 known interactions (targets) of input drug (DB00141): N-Acetylglucosamine
No. Gene UniProt ID Protein Name Pathway PDB
1 B4GALT1 P15291 Beta-1,4-galactosyltransferase 1 hsa00052; hsa00510; hsa00514; hsa00515; hsa00533; hsa00601; hsa01100 2AE7; 2AEC; 2AES; 2AGD; 2AH9; 2FY7; 2FYA; 2FYB; 3EE5; 4EE3; 4EE4; 4EE5; 4EEA; 4EEG; 4EEM; 4EEO; 4L41
2 NAGLU P54802 Alpha-N-acetylglucosaminidase hsa00531; hsa01100; hsa04142 NA
3 NAGK Q9UJ70 N-acetyl-D-glucosamine kinase hsa00520; hsa01100 2CH5; 2CH6
4 NAGPA Q9UK23 N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase hsa04142 NA
5 B4GALT2 O60909 Beta-1,4-galactosyltransferase 2 hsa00052; hsa00510; hsa00514; hsa00515; hsa00533; hsa00601; hsa01100 NA
6 RENBP P51606 N-acylglucosamine 2-epimerase hsa00520 NA
7 B4GALT4 O60513 Beta-1,4-galactosyltransferase 4 hsa00533; hsa00601; hsa01100 NA
8 B4GALT3 O60512 Beta-1,4-galactosyltransferase 3 hsa00510; hsa00514; hsa00515; hsa00533; hsa00601; hsa01100 NA


20 predicted interactions (targets) of input drug (DB00141): N-Acetylglucosamine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 31.0%
2 ADH1B P00325 Alcohol dehydrogenase 1B hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1DEH; 1HDX; 1HDY; 1HDZ; 1HSZ; 1HTB; 1U3U; 1U3V; 3HUD 29.1%
3 TACR1 P25103 Substance-P receptor hsa04020; hsa04080; hsa05162 2KS9; 2KSA; 2KSB 26.9%
4 GLRA1 P23415 Glycine receptor subunit alpha-1 hsa04080 1MOT; 1VRY; 2M6B; 2M6I; 4X5T 25.8%
5 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 25.7%
6 HMGCR P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase hsa00900; hsa01100; hsa04152; hsa04976 25.6%
7 DPP4 P27487 Dipeptidyl peptidase 4 hsa04974 25.2%
8 PPP2CA P67775 Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform hsa03015; hsa04071; hsa04114; hsa04136; hsa04140; hsa04151; hsa04152; hsa04261; hsa04350; hsa04390; hsa04530; hsa04728; hsa04730; hsa05142; hsa05160; hsa05165 2IAE; 2IE3; 2IE4; 2NPP; 2NYL; 2NYM; 3C5W; 3DW8; 3FGA; 3K7V; 3K7W; 3P71; 4I5L; 4I5N; 4IYP; 4LAC 24.5%
9 AQP1 P29972 Aquaporin-1 hsa04924; hsa04964; hsa04976 1FQY; 1H6I; 1IH5; 4CSK 24.4%
10 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 24.1%
11 FFAR4 Q5NUL3 Free fatty acid receptor 4 NA NA 23.8%
12 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 23.7%
13 IGHG2 P01859 Ig gamma-2 chain C region NA 2QSC; 4HAF; 4HAG; 4L4J 23.3%
14 MAOA P21397 Amine oxidase [flavin-containing] A hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 1H8Q; 2BXR; 2BXS; 2Z5X; 2Z5Y 23.3%
15 ADA P00813 Adenosine deaminase hsa00230; hsa01100; hsa05340 1M7M; 3IAR 22.5%
16 CACNB1 Q02641 Voltage-dependent L-type calcium channel subunit beta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 22.0%
17 S100A7 P31151 Protein S100-A7 hsa04657 1PSR; 2PSR; 2WND; 2WOR; 2WOS; 3PSR; 4AQJ 21.2%
18 ADCY2 Q08462 Adenylate cyclase type 2 hsa00230; hsa01522; hsa04015; hsa04020; hsa04022; hsa04024; hsa04062; hsa04072; hsa04114; hsa04211; hsa04213; hsa04261; hsa04270; hsa04371; hsa04540; hsa04611; hsa04713; hsa04714; hsa04723; hsa04724; hsa04725; hsa04727; hsa04750; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04921; hsa04922; hsa04923; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa04976; hsa05032; hsa05163; hsa05166; hsa05200; hsa05414 NA 21.0%
19 GSS P48637 Glutathione synthetase hsa00270; hsa00480; hsa01100; hsa04216 2HGS 20.7%
20 CMTR1 Q8N1G2 Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 NA 4N48; 4N49; 4N4A 20.6%


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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.