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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: DB06266
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB06266 Lonidamine Thumb


2 known interactions (targets) of input drug (DB06266): Lonidamine
No. Gene UniProt ID Protein Name Pathway PDB
1 HK1 P19367 Hexokinase-1 hsa00010; hsa00051; hsa00052; hsa00500; hsa00520; hsa00524; hsa01100; hsa01200; hsa04066; hsa04910; hsa04930; hsa04973; hsa05230 1CZA; 1DGK; 1HKB; 1HKC; 1QHA; 4F9O; 4FOE; 4FOI; 4FPA; 4FPB
2 CFTR P13569 Cystic fibrosis transmembrane conductance regulator hsa02010; hsa04024; hsa04152; hsa04530; hsa04971; hsa04972; hsa04976; hsa05110 1NBD; 1XMI; 1XMJ; 2BBO; 2BBS; 2BBT; 2LOB; 2PZE; 2PZF; 2PZG; 3GD7; 3ISW


20 predicted interactions (targets) of input drug (DB06266): Lonidamine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PYGM P11217 Glycogen phosphorylase, muscle form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1Z8D 25.0%
2 CTRB1 P17538 Chymotrypsinogen B hsa04972; hsa04974 NA 22.3%
3 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 20.1%
4 CSNK2A1 P68400 Casein kinase II subunit alpha hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169 19.8%
5 THBD P07204 Thrombomodulin hsa04610; hsa04933; hsa05418 1ADX; 1DQB; 1DX5; 1EGT; 1FGD; 1FGE; 1HLT; 1TMR; 1ZAQ; 2ADX; 3GIS 19.8%
6 DNMT1 P26358 DNA (cytosine-5)-methyltransferase 1 hsa00270; hsa01100; hsa05206 3EPZ; 3PTA; 3SWR; 4WXX; 4YOC 18.4%
7 GSS P48637 Glutathione synthetase hsa00270; hsa00480; hsa01100; hsa04216 2HGS 18.3%
8 KIF1A Q12756 Kinesin-like protein KIF1A NA 4EGX; 4EJQ; 4UXO; 4UXP; 4UXR; 4UXS 17.5%
9 VCP P55072 Transitional endoplasmic reticulum ATPase hsa04141; hsa05134 3EBB; 3HU1; 3HU2; 3HU3; 3QC8; 3QQ7; 3QQ8; 3QWZ; 3TIW; 4KDI; 4KDL; 4KLN; 4KO8; 4KOD; 4P0A 17.5%
10 PFKFB4 Q16877 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 hsa00051; hsa04152 NA 17.2%
11 GALK1 P51570 Galactokinase hsa00052; hsa00520; hsa01100 1WUU; 1YH7 17.0%
12 AMY2A P04746 Pancreatic alpha-amylase hsa00500; hsa01100; hsa04972; hsa04973 16.9%
13 LCK P06239 Tyrosine-protein kinase Lck hsa04064; hsa04380; hsa04650; hsa04658; hsa04659; hsa04660; hsa05166; hsa05340 16.1%
14 DAPK1 P53355 Death-associated protein kinase 1 hsa04140; hsa05200; hsa05219 16.0%
15 ANO1 Q5XXA6 Anoctamin-1 NA NA 15.8%
16 PLA2G2E Q9NZK7 Group IIE secretory phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 NA 14.9%
17 AGXT P21549 Serine--pyruvate aminotransferase hsa00250; hsa00260; hsa00630; hsa01100; hsa01200; hsa04146 1H0C; 1J04; 2YOB; 3R9A; 4CBR; 4CBS; 4I8A; 4KXK; 4KYO 14.8%
18 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 14.4%
19 GNAS P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short hsa01522; hsa04015; hsa04020; hsa04024; hsa04072; hsa04261; hsa04270; hsa04540; hsa04611; hsa04713; hsa04714; hsa04724; hsa04726; hsa04728; hsa04730; hsa04750; hsa04911; hsa04912; hsa04913; hsa04915; hsa04916; hsa04918; hsa04921; hsa04922; hsa04923; hsa04924; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04961; hsa04962; hsa04970; hsa04971; hsa04972; hsa04976; hsa05030; hsa05031; hsa05032; hsa05034; hsa05110; hsa05142; hsa05146; hsa05163; hsa05165; hsa05200; hsa05414 NA 14.3%
20 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 14.3%


  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.