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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: DB13503
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved SmallMoleculeDrug DB13503 Tyrothricin Thumb


1 known interactions (targets) of input drug (DB13503): Tyrothricin
No. Gene UniProt ID Protein Name Pathway PDB
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE


19 predicted interactions (targets) of input drug (DB13503): Tyrothricin
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 BCHE P06276 Cholinesterase NA 33.9%
2 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 16.9%
3 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 14.1%
4 CMA1 P23946 Chymase hsa04614 1KLT; 1NN6; 1PJP; 1T31; 2HVX; 3N7O; 3S0N; 4AFQ; 4AFS; 4AFU; 4AFZ; 4AG1; 4AG2; 4K2Y; 4K5Z; 4K60; 4K69; 4KP0 14.1%
5 ASL P04424 Argininosuccinate lyase hsa00220; hsa00250; hsa01100; hsa01230 1AOS; 1K62 13.9%
6 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 13.7%
7 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 12.2%
8 CPA1 P15085 Carboxypeptidase A1 hsa04972; hsa04974 2V77; 3FJU 12.0%
9 GABBR1 Q9UBS5 Gamma-aminobutyric acid type B receptor subunit 1 hsa04024; hsa04080; hsa04727; hsa04742; hsa04915; hsa05032 4MQE; 4MQF; 4MR7; 4MR8; 4MR9; 4MRM; 4MS1; 4MS3; 4MS4; 4PAS 11.9%
10 CACNA1G O43497 Voltage-dependent T-type calcium channel subunit alpha-1G hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04930; hsa04934 NA 11.6%
11 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 11.4%
12 CES1 P23141 Liver carboxylesterase 1 hsa00983; hsa01100 1MX1; 1MX5; 1MX9; 1YA4; 1YA8; 1YAH; 1YAJ; 2DQY; 2DQZ; 2DR0; 2H7C; 2HRQ; 2HRR; 3K9B; 4AB1 11.3%
13 PDXK O00764 Pyridoxal kinase hsa00750; hsa01100 2AJP; 2F7K; 2YXT; 2YXU; 3FHX; 3FHY; 3KEU; 4EN4; 4EOH 11.3%
14 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 11.2%
15 TACR1 P25103 Substance-P receptor hsa04020; hsa04080; hsa05162 2KS9; 2KSA; 2KSB 11.2%
16 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 11.1%
17 SELE P16581 E-selectin hsa04514; hsa04668; hsa04933; hsa05143; hsa05144; hsa05418 1ESL; 1G1T; 1KJA; 4C16; 4CSY 10.7%
18 METAP1 P53582 Methionine aminopeptidase 1 NA 10.7%
19 MBL2 P11226 Mannose-binding protein C hsa04145; hsa04610; hsa05150 1HUP 10.4%



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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.