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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: DB00622
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00622 Nicardipine Thumb


15 known interactions (targets) of input drug (DB00622): Nicardipine
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE1A P54750 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXQ
2 CACNA1D Q01668 Voltage-dependent L-type calcium channel subunit alpha-1D hsa04010; hsa04020; hsa04022; hsa04024; hsa04218; hsa04260; hsa04261; hsa04270; hsa04530; hsa04713; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa04973; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 3LV3
3 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA
4 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA
5 PDE1B Q01064 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXR; 1TAZ; 4NPV; 4NPW
6 CACNA2D1 P54289 Voltage-dependent calcium channel subunit alpha-2/delta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
7 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA
8 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA
9 CACNA1C Q13936 Voltage-dependent L-type calcium channel subunit alpha-1C hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04742; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 1T0J; 2BE6; 2F3Y; 2F3Z; 2LQC; 3G43; 3OXQ
10 CHRM5 P08912 Muscarinic acetylcholine receptor M5 hsa04020; hsa04080; hsa04725; hsa04810 NA
11 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA
12 CACNB2 Q08289 Voltage-dependent L-type calcium channel subunit beta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
13 CHRM2 P08172 Muscarinic acetylcholine receptor M2 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 1LUB; 3UON; 4MQS; 4MQT
14 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA
15 CALM1 P0DP23 Calmodulin NA


20 predicted interactions (targets) of input drug (DB00622): Nicardipine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CACNA1S Q13698 Voltage-dependent L-type calcium channel subunit alpha-1S hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04723; hsa04725; hsa04726; hsa04727; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04934; hsa05010; hsa05410; hsa05412; hsa05414 2VAY 75.1%
2 CACNA1H O95180 Voltage-dependent T-type calcium channel subunit alpha-1H hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 73.6%
3 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 71.6%
4 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 69.9%
5 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 69.0%
6 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 68.3%
7 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 67.5%
8 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 67.2%
9 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 65.8%
10 CACNA1F O60840 Voltage-dependent L-type calcium channel subunit alpha-1F hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04723; hsa04725; hsa04726; hsa04727; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04934; hsa05010; hsa05410; hsa05412; hsa05414 NA 63.6%
11 DRD4 P21917 D(4) dopamine receptor hsa04080; hsa04728 NA 63.4%
12 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 62.9%
13 HTR6 P50406 5-hydroxytryptamine receptor 6 hsa04020; hsa04024; hsa04080; hsa04726 NA 62.8%
14 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 62.4%
15 HTR7 P34969 5-hydroxytryptamine receptor 7 hsa04014; hsa04020; hsa04080; hsa04726 NA 61.9%
16 ADRB2 P07550 Beta-2 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970 1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX 61.1%
17 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 61.0%
18 HTR1D P28221 5-hydroxytryptamine receptor 1D hsa04024; hsa04080; hsa04726; hsa04742 NA 59.4%
19 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 57.4%
20 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 54.8%


  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.