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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: DB05214
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB05214 KD7040 Thumb


1 known interactions (targets) of input drug (DB05214): KD7040
No. Gene UniProt ID Protein Name Pathway PDB
1 NOS2 P35228 Nitric oxide synthase, inducible hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222 1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS


20 predicted interactions (targets) of input drug (DB05214): KD7040
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P 32.9%
2 NOS1 P29475 Nitric oxide synthase, brain hsa00220; hsa00330; hsa01100; hsa04020; hsa04145; hsa04371; hsa04713; hsa04730; hsa04926; hsa04970; hsa05010; hsa05014 4D1N; 4UCH; 4UH5; 4UH6; 4V3U; 5ADF; 5ADG; 5ADI 20.4%
3 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 15.8%
4 PNMT P11086 Phenylethanolamine N-methyltransferase hsa00350; hsa01100 13.9%
5 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 13.9%
6 ASS1 P00966 Argininosuccinate synthase hsa00220; hsa00250; hsa01100; hsa01230; hsa05418 2NZ2 13.7%
7 GABRG1 Q8N1C3 Gamma-aminobutyric acid receptor subunit gamma-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 13.0%
8 GABRP O00591 Gamma-aminobutyric acid receptor subunit pi hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 13.0%
9 GABRB1 P18505 Gamma-aminobutyric acid receptor subunit beta-1 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA 13.0%
10 GABRR2 P28476 Gamma-aminobutyric acid receptor subunit rho-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 12.7%
11 GABRG3 Q99928 Gamma-aminobutyric acid receptor subunit gamma-3 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 12.4%
12 NQO1 P15559 NAD(P)H dehydrogenase [quinone] 1 hsa00130; hsa05200; hsa05225; hsa05418 1D4A; 1DXO; 1GG5; 1H66; 1H69; 1KBO; 1KBQ; 1QBG; 2F1O; 3JSX; 4CET; 4CF6 12.3%
13 GABRQ Q9UN88 Gamma-aminobutyric acid receptor subunit theta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 11.9%
14 ODC1 P11926 Ornithine decarboxylase hsa00330; hsa00480; hsa01100 1D7K; 2ON3; 2OO0; 4ZGY 11.7%
15 SCN2A Q99250 Sodium channel protein type 2 subunit alpha hsa04742 2KAV; 4JPZ 11.6%
16 GABRB2 P47870 Gamma-aminobutyric acid receptor subunit beta-2 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA 11.3%
17 GABRA3 P34903 Gamma-aminobutyric acid receptor subunit alpha-3 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 11.3%
18 GABRR1 P24046 Gamma-aminobutyric acid receptor subunit rho-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 11.2%
19 BST1 Q10588 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 hsa00760; hsa01100; hsa04970; hsa04972 1ISF; 1ISG; 1ISH; 1ISI; 1ISJ; 1ISM 11.0%
20 MAP2K1 Q02750 Dual specificity mitogen-activated protein kinase kinase 1 hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04066; hsa04068; hsa04071; hsa04072; hsa04114; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04270; hsa04370; hsa04371; hsa04380; hsa04510; hsa04540; hsa04550; hsa04620; hsa04650; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04720; hsa04722; hsa04725; hsa04726; hsa04730; hsa04810; hsa04910; hsa04912; hsa04914; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04928; hsa04934; hsa05020; hsa05034; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05205; hsa05206; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 10.8%


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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.