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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: DB01221
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Vet approved		 SmallMoleculeDrug DB01221 Ketamine Thumb


24 known interactions (targets) of input drug (DB01221): Ketamine
No. Gene UniProt ID Protein Name Pathway PDB
1 OPRD1 P41143 Delta-type opioid receptor hsa04022; hsa04071; hsa04080 1OZC; 2IQM; 4N6H; 4RWA; 4RWD
2 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH
3 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA
4 HTR1B P28222 5-hydroxytryptamine receptor 1B hsa04024; hsa04080; hsa04726; hsa04742 2G1X; 4IAQ; 4IAR
5 BCHE P06276 Cholinesterase NA
6 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA
7 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA
8 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA
9 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA
10 CHRM5 P08912 Muscarinic acetylcholine receptor M5 hsa04020; hsa04080; hsa04725; hsa04810 NA
11 CHRM2 P08172 Muscarinic acetylcholine receptor M2 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 1LUB; 3UON; 4MQS; 4MQT
12 TACR1 P25103 Substance-P receptor hsa04020; hsa04080; hsa05162 2KS9; 2KSA; 2KSB
13 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA
14 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA
15 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA
16 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA
17 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
18 HTR2B P41595 5-hydroxytryptamine receptor 2B hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 4IB4; 4NC3
19 HTR1E P28566 5-hydroxytryptamine receptor 1E hsa04024; hsa04080; hsa04726; hsa04742 NA
20 HTR1D P28221 5-hydroxytryptamine receptor 1D hsa04024; hsa04080; hsa04726; hsa04742 NA
21 CHRNA7 Q693P7 Alpha-7 nicotinic cholinergic receptor subunit NA NA
22 HTR1F P30939 5-hydroxytryptamine receptor 1F hsa04024; hsa04080; hsa04726; hsa04742 NA
23 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER
24 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA


20 predicted interactions (targets) of input drug (DB01221): Ketamine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 86.1%
2 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 82.6%
3 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 80.9%
4 HTR7 P34969 5-hydroxytryptamine receptor 7 hsa04014; hsa04020; hsa04080; hsa04726 NA 80.7%
5 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 79.3%
6 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 73.6%
7 DRD4 P21917 D(4) dopamine receptor hsa04080; hsa04728 NA 70.3%
8 HTR6 P50406 5-hydroxytryptamine receptor 6 hsa04020; hsa04024; hsa04080; hsa04726 NA 69.6%
9 SIGMAR1 Q99720 Sigma non-opioid intracellular receptor 1 NA NA 63.0%
10 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 62.5%
11 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 58.6%
12 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 57.0%
13 HRH2 P25021 Histamine H2 receptor hsa04020; hsa04080; hsa04971 NA 56.8%
14 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 54.6%
15 HRH4 Q9H3N8 Histamine H4 receptor hsa04080 NA 54.1%
16 HTR4 Q13639 5-hydroxytryptamine receptor 4 hsa04020; hsa04024; hsa04080; hsa04726 NA 52.8%
17 HTR3B O95264 5-hydroxytryptamine receptor 3B hsa04726; hsa04742 NA 51.9%
18 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 51.7%
19 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 48.8%
20 HTR5A P47898 5-hydroxytryptamine receptor 5A hsa04020; hsa04080; hsa04726 NA 48.6%


  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.