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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: DB03349
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03349 8-Bromo-Adenosine-5'-Monophosphate Thumb


2 known interactions (targets) of input drug (DB03349): 8-Bromo-Adenosine-5'-Monophosphate
No. Gene UniProt ID Protein Name Pathway PDB
1 HINT1 P49773 Histidine triad nucleotide-binding protein 1 NA 1AV5; 1KPA; 1KPB; 1KPC; 1KPE; 1KPF; 3TW2; 4EQE; 4EQG; 4EQH
2 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032


20 predicted interactions (targets) of input drug (DB03349): 8-Bromo-Adenosine-5'-Monophosphate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032 35.8%
2 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX 33.6%
3 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 28.2%
4 PDE4C Q08493 cAMP-specific 3',5'-cyclic phosphodiesterase 4C hsa00230; hsa04024; hsa04928; hsa05032 1LXU; 2QYM 23.9%
5 ADORA2A P29274 Adenosine receptor A2a hsa04015; hsa04020; hsa04024; hsa04080; hsa04270; hsa05012; hsa05034 1MMH; 1UPE; 2YDO; 2YDV; 3EML; 3PWH; 3QAK; 3REY; 3RFM; 3UZA; 3UZC; 3VG9; 3VGA; 4EIY; 4UG2; 4UHR 20.7%
6 PYGL P06737 Glycogen phosphorylase, liver form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1EM6; 1EXV; 1FA9; 1FC0; 1L5Q; 1L5R; 1L5S; 1L7X; 1XOI; 2ATI; 2QLL; 2ZB2; 3CEH; 3CEJ; 3CEM; 3DD1; 3DDS; 3DDW 19.9%
7 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 19.7%
8 PPARG P37231 Peroxisome proliferator-activated receptor gamma hsa03320; hsa04152; hsa04211; hsa04380; hsa04714; hsa05016; hsa05200; hsa05202; hsa05216
1FM6; 1FM9; 1I7I; 1K74; 1KNU; 1NYX; 1PRG; 1RDT; 1WM0; 1ZEO; 1ZGY; 2ATH; 2F4B; 2FVJ; 2G0G; 2G0H; 2GTK; 2HFP; 2HWQ; 2HWR; 2I4J; 2I4P; 2I4Z; 2OM9; 2P4Y; 2POB; 2PRG; 2Q59; 2Q5P; 2Q5S; 2Q61; 2Q6R; 2Q6S; 2Q8S; 2QMV; 2VSR; 2VST; 2VV0; 2VV1; 2VV2; 2VV3; 2VV4; 2XKW; 2YFE; 2ZK0; 2ZK1; 2ZK2; 2ZK3; 2ZK4; 2ZK5; 2ZK6; 2ZNO; 2ZVT; 3ADS; 3ADT; 3ADU; 3ADV; 3ADW; 3ADX; 3AN3; 3AN4; 3B0Q; 3B0R; 3B1M; 3B3K; 3BC5; 3CDP; 3CDS; 3CS8; 3CWD; 3D6D; 3DZU; 3DZY; 3E00; 3ET0; 3ET3; 3FEJ; 3FUR; 3G9E; 3GBK; 3H0A; 3HO0; 3HOD; 3IA6; 3K8S; 3KMG; 3LMP; 3NOA; 3OSI; 3OSW; 3PBA; 3PO9; 3PRG; 3QT0; 3R5N; 3R8A; 3R8I; 3S9S; 3SZ1; 3T03; 3TY0; 3U9Q; 3V9T; 3V9V; 3V9Y; 3VJH; 3VJI; 3VN2; 3VSO; 3VSP; 3WJ4; 3WJ5; 3WMH; 3X1H; 3X1I; 4A4V; 4A4W; 4CI5; 4E4K; 4E4Q; 4EM9; 4EMA; 4F9M; 4FGY; 4HEE; 4JAZ; 4JL4; 4L96; 4L98; 4O8F; 4OJ4; 4PRG; 4PVU; 4PWL; 4R2U; 4R6S; 4XLD; 4XTA; 4XUM; 4Y29
 17.9%
9 CTRB1 P17538 Chymotrypsinogen B hsa04972; hsa04974 NA 17.5%
10 GUK1 Q16774 Guanylate kinase hsa00230; hsa01100 NA 17.1%
11 PNMT P11086 Phenylethanolamine N-methyltransferase hsa00350; hsa01100 16.9%
12 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC 16.1%
13 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 16.0%
14 PIK3CG P48736 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform hsa00562; hsa04022; hsa04062; hsa04072; hsa04151; hsa04261; hsa04371; hsa04611; hsa04725; hsa04921; hsa05145; hsa05167 15.5%
15 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 15.2%
16 PRKAA1 Q13131 5'-AMP-activated protein kinase catalytic subunit alpha-1 hsa04068; hsa04140; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410; hsa05418 4RED; 4RER; 4REW 15.1%
17 ADORA3 P0DMS8 Adenosine receptor A3 hsa04022; hsa04071; hsa04080 1OEA; 1R7N 15.0%
18 ADRB2 P07550 Beta-2 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970 1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX 14.8%
19 ACSS2 Q9NR19 Acetyl-coenzyme A synthetase, cytoplasmic hsa00010; hsa00620; hsa00630; hsa00640; hsa01100; hsa01200 NA 14.4%
20 ACSL1 P33121 Long-chain-fatty-acid--CoA ligase 1 hsa00061; hsa00071; hsa01100; hsa01212; hsa03320; hsa04146; hsa04216; hsa04714; hsa04920 NA 14.4%


  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.