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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: DB07940
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07940 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE Thumb


1 known interactions (targets) of input drug (DB07940): 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE
No. Gene UniProt ID Protein Name Pathway PDB
1 BCHE P06276 Cholinesterase NA


13 predicted interactions (targets) of input drug (DB07940): 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE
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 37.8%
2 CSNK2A1 P68400 Casein kinase II subunit alpha hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169 16.3%
3 CES1 P23141 Liver carboxylesterase 1 hsa00983; hsa01100 1MX1; 1MX5; 1MX9; 1YA4; 1YA8; 1YAH; 1YAJ; 2DQY; 2DQZ; 2DR0; 2H7C; 2HRQ; 2HRR; 3K9B; 4AB1 15.7%
4 MBL2 P11226 Mannose-binding protein C hsa04145; hsa04610; hsa05150 1HUP 13.1%
5 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA 13.0%
6 PHOSPHO1 Q8TCT1 Phosphoethanolamine/phosphocholine phosphatase hsa00564; hsa01100 NA 12.2%
7 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 12.0%
8 PCYT1B Q9Y5K3 Choline-phosphate cytidylyltransferase B hsa00440; hsa00564; hsa01100; hsa05231 NA 11.5%
9 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 10.7%
10 CTSS P25774 Cathepsin S hsa04142; hsa04145; hsa04210; hsa04612; hsa05152 10.5%
11 HDAC2 Q92769 Histone deacetylase 2 hsa04110; hsa04213; hsa04330; hsa04919; hsa05016; hsa05034; hsa05165; hsa05169; hsa05200; hsa05202; hsa05203; hsa05220 3MAX; 4LXZ; 4LY1 10.4%
12 P2RY12 Q9H244 P2Y purinoceptor 12 hsa04611 1T78; 1VZ1; 1Y9C; 4NTJ; 4PXZ; 4PY0 10.3%
13 HGF P14210 Hepatocyte growth factor hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04510; hsa05144; hsa05200; hsa05205; hsa05211; hsa05218; hsa05225; hsa05226 10.1%


  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.