QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: DB05447
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB05447 AVI-4557 Thumb


1 known interactions (targets) of input drug (DB05447): AVI-4557
No. Gene UniProt ID Protein Name Pathway PDB
1 HNF4A P41235 Hepatocyte nuclear factor 4-alpha hsa04152; hsa04950 1PZL; 3CBB; 3FS1; 4B7W; 4IQR


20 predicted interactions (targets) of input drug (DB05447): AVI-4557
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADH5 P11766 Alcohol dehydrogenase class-3 hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa01200; hsa05204 1M6H; 1M6W; 1MA0; 1MC5; 1MP0; 1TEH; 2FZE; 2FZW; 3QJ5 20.4%
2 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4 18.8%
3 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 17.4%
4 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 16.8%
5 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA 15.6%
6 LTF P02788 Lactotransferrin NA 15.4%
7 C8G P07360 Complement component C8 gamma chain hsa04610; hsa05020; hsa05146; hsa05322 1IW2; 1LF7; 2OVA; 2OVD; 2OVE; 2QOS; 2RD7; 3OJY 15.3%
8 LY96 Q9Y6Y9 Lymphocyte antigen 96 hsa04064; hsa04620; hsa05130; hsa05133; hsa05145 1T2Z; 2E56; 2E59; 2Z65; 3FXI; 3ULA; 4G8A 15.1%
9 GLTP Q9NZD2 Glycolipid transfer protein NA 14.4%
10 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 14.3%
11 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 14.1%
12 GLRA2 P23416 Glycine receptor subunit alpha-2 hsa04080 NA 14.1%
13 INS P01308 Insulin hsa04010; hsa04014; hsa04015; hsa04022; hsa04066; hsa04068; hsa04072; hsa04114; hsa04140; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04810; hsa04910; hsa04911; hsa04913; hsa04914; hsa04917; hsa04923; hsa04930; hsa04931; hsa04932; hsa04940; hsa04950; hsa04960; hsa05215
1A7F; 1AI0; 1AIY; 1B9E; 1BEN; 1EFE; 1EV3; 1EV6; 1EVR; 1FU2; 1FUB; 1G7A; 1G7B; 1GUJ; 1HIQ; 1HIS; 1HIT; 1HLS; 1HTV; 1HUI; 1IOG; 1IOH; 1J73; 1JCA; 1JCO; 1JK8; 1K3M; 1KMF; 1LKQ; 1LPH; 1MHI; 1MHJ; 1MSO; 1OS3; 1OS4; 1Q4V; 1QIY; 1QIZ; 1QJ0; 1RWE; 1SF1; 1SJT; 1SJU; 1T0C; 1T1K; 1T1P; 1T1Q; 1TRZ; 1TYL; 1TYM; 1UZ9; 1VKT; 1W8P; 1XDA; 1XGL; 1XW7; 1ZEG; 1ZEH; 1ZNJ; 2AIY; 2C8Q; 2C8R; 2CEU; 2G54; 2G56; 2H67; 2HH4; 2HHO; 2HIU; 2JMN; 2JUM; 2JUU; 2JUV; 2JV1; 2JZQ; 2K91; 2K9R; 2KJJ; 2KJU; 2KQP; 2KQQ; 2KXK; 2L1Y; 2L1Z; 2LGB; 2LWZ; 2M1D; 2M1E; 2M2M; 2M2N; 2M2O; 2M2P; 2MLI; 2MPG; 2MPI; 2MVC; 2MVD; 2OLY; 2OLZ; 2OM0; 2OM1; 2OMG; 2OMH; 2OMI; 2OMQ; 2QIU; 2R34; 2R35; 2R36; 2RN5; 2VJZ; 2VK0; 2W44; 2WBY; 2WC0; 2WRU; 2WRV; 2WRW; 2WRX; 2WS0; 2WS1; 2WS4; 2WS6; 2WS7; 3AIY; 3BXQ; 3E7Y; 3E7Z; 3EXX; 3FQ9; 3HYD; 3I3Z; 3I40; 3ILG; 3INC; 3IR0; 3JSD; 3KQ6; 3P2X; 3P33; 3Q6E; 3ROV; 3TT8; 3U4N; 3UTQ; 3UTS; 3UTT; 3V19; 3V1G; 3W11; 3W12; 3W13; 3W7Y; 3W7Z; 3W80; 3ZI3; 3ZQR; 3ZS2; 3ZU1; 4AIY; 4AJX; 4AJZ; 4AK0; 4AKJ; 4CXL; 4CXN; 4CY7; 4EFX; 4EWW; 4EWX; 4EWZ; 4EX0; 4EX1; 4EXX; 4EY1; 4EY9; 4EYD; 4EYN; 4EYP; 4F0N; 4F0O; 4F1A; 4F1B; 4F1C; 4F1D; 4F1F; 4F1G; 4F4T; 4F4V; 4F51; 4F8F; 4FG3; 4FKA; 4GBC; 4GBI; 4GBK; 4GBL; 4GBN; 4IUZ; 4IYD; 4IYF; 4NIB; 4OGA; 4P65; 4Q5Z; 4RXW; 4UNE; 4UNG; 4UNH; 4WDI; 4XC4; 4Y19; 4Y1A; 4Z76; 4Z77; 4Z78; 5AIY; 5CNY; 5CO2; 5CO6; 5CO9
 13.9%
14 DHFR P00374 Dihydrofolate reductase hsa00670; hsa00790; hsa01100; hsa01523 13.7%
15 KDR P35968 Vascular endothelial growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04370; hsa04510; hsa05205; hsa05418 13.6%
16 GM2A P17900 Ganglioside GM2 activator hsa04142 1G13; 1PU5; 1PUB; 1TJJ; 2AF9; 2AG2; 2AG4; 2AG9 13.6%
17 FGFR1 P11362 Fibroblast growth factor receptor 1 hsa04010; hsa04014; hsa04015; hsa04151; hsa04520; hsa04550; hsa04714; hsa04810; hsa04928; hsa05200; hsa05205; hsa05215; hsa05218; hsa05224; hsa05230 13.5%
18 IGHG1 P01857 Ig gamma-1 chain C region NA
1AJ7; 1AQK; 1BEY; 1D5B; 1D5I; 1D6V; 1DFB; 1DN2; 1E4K; 1FC1; 1FC2; 1FCC; 1GAF; 1H3T; 1H3U; 1H3V; 1H3W; 1H3X; 1H3Y; 1HKL; 1HZH; 1I7Z; 1L6X; 1N7M; 1OP3; 1OQO; 1OQX; 1T83; 1T89; 1VGE; 2DTS; 2GJ7; 2I5Y; 2IWG; 2J6E; 2JB5; 2JB6; 2O5X; 2O5Y; 2O5Z; 2OSL; 2QAD; 2QL1; 2QQK; 2QQL; 2QQN; 2QR0; 2R56; 2RCJ; 2RCS; 2VXQ; 2WAH; 3AGV; 3AVE; 3AY4; 3B2U; 3B2V; 3BDY; 3BE1; 3BKY; 3BN9; 3BQU; 3C08; 3C09; 3C2S; 3CFJ; 3CFK; 3CSY; 3D0L; 3D0V; 3D6G; 3D85; 3DJ9; 3DNK; 3DO3; 3DRO; 3DRQ; 3DVG; 3DVN; 3EYF; 3EYO; 3EYQ; 3FJT; 3O11; 3RY6; 3S7G; 3SGJ; 3SGK; 3TV3; 3TWC; 3TYG; 3U0W; 3U7W; 3U7Y; 3V7M; 3V8C; 3V95; 3WJJ; 3WJL; 3WKN; 3WN5; 4ACP; 4B7I; 4BM7; 4BSV; 4BSW; 4BYH; 4CDH; 4D9Q; 4D9R; 4DAG; 4DZ8; 4EOW; 4J12; 4KU1; 4LLD; 4LLM; 4LLQ; 4N0U; 4NQS; 4NQT; 4NQU; 4NWT; 4NWU; 4O4Y; 4O51; 4Q6Y; 4Q74; 4Q7D; 4W4N; 4W4O; 4WI2; 4WI3; 4WI4; 4WI5; 4WI6; 4WI7; 4WI8; 4WI9; 4X4M; 4X98; 4X99; 4ZNE; 5BW7
 13.5%
19 TLR7 Q9NYK1 Toll-like receptor 7 hsa04620; hsa05162; hsa05164 NA 13.5%
20 VKORC1 Q9BQB6 Vitamin K epoxide reductase complex subunit 1 hsa00130 NA 13.4%


  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.