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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: DB11148
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Withdrawn
SmallMoleculeDrug DB11148 Butamben Thumb


25 known interactions (targets) of input drug (DB11148): Butamben
No. Gene UniProt ID Protein Name Pathway PDB
1 KCNJ12 Q14500 ATP-sensitive inward rectifier potassium channel 12 hsa04725; hsa04921 NA
2 KCNJ8 Q15842 ATP-sensitive inward rectifier potassium channel 8 hsa04022 NA
3 CACNA2D2 Q9NY47 Voltage-dependent calcium channel subunit alpha-2/delta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
4 CACNG1 Q06432 Voltage-dependent calcium channel gamma-1 subunit hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
5 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
6 CACNB4 O00305 Voltage-dependent L-type calcium channel subunit beta-4 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 1VYV; 2D46
7 CACNA1B Q00975 Voltage-dependent N-type calcium channel subunit alpha-1B hsa04010; hsa04020; hsa04721; hsa04723; hsa04725; hsa04726; hsa04727; hsa04728; hsa04930; hsa05032; hsa05033 2LCM
8 CACNA1I Q9P0X4 Voltage-dependent T-type calcium channel subunit alpha-1I hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA
9 CACNA1A O00555 Voltage-dependent P/Q-type calcium channel subunit alpha-1A hsa04010; hsa04020; hsa04721; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04730; hsa04742; hsa04930; hsa05032; hsa05033 3BXK
10 CACNA1H O95180 Voltage-dependent T-type calcium channel subunit alpha-1H hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA
11 KCNJ15 Q99712 ATP-sensitive inward rectifier potassium channel 15 hsa04971 NA
12 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
13 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
14 CACNB1 Q6TME4 Voltage-dependent L-type calcium channel subunit beta-1 NA NA
15 CACNB3 P54284 Voltage-dependent L-type calcium channel subunit beta-3 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
16 KCNJ1 P48048 ATP-sensitive inward rectifier potassium channel 1 hsa04960; hsa04971 NA
17 CACNA1G O43497 Voltage-dependent T-type calcium channel subunit alpha-1G hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04930; hsa04934 NA
18 CACNB1 Q02641 Voltage-dependent L-type calcium channel subunit beta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
19 KCNJ14 Q9UNX9 ATP-sensitive inward rectifier potassium channel 14 hsa04725; hsa04921 NA
20 CACNA2D1 P54289 Voltage-dependent calcium channel subunit alpha-2/delta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
21 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
22 CACNB2 Q08289 Voltage-dependent L-type calcium channel subunit beta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA
23 KCNJ11 Q14654 ATP-sensitive inward rectifier potassium channel 11 hsa04911; hsa04930 NA
24 KCNJ10 P78508 ATP-sensitive inward rectifier potassium channel 10 hsa04971 NA
25 CACNA2D3 Q8IZS8 Voltage-dependent calcium channel subunit alpha-2/delta-3 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA


20 predicted interactions (targets) of input drug (DB11148): Butamben
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 40.1%
2 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 39.2%
3 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 38.5%
4 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 37.9%
5 CYP11B2 P19099 Cytochrome P450 11B2, mitochondrial hsa00140; hsa01100; hsa04925 4DVQ; 4FDH; 4ZGX 37.4%
6 KCNA1 Q09470 Potassium voltage-gated channel subfamily A member 1 NA 2AFL 36.7%
7 TRPA1 O75762 Transient receptor potential cation channel subfamily A member 1 hsa04750 3J9P 35.9%
8 TRPV3 Q8NET8 Transient receptor potential cation channel subfamily V member 3 hsa04750 NA 34.0%
9 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 33.7%
10 TNNC1 P63316 Troponin C, slow skeletal and cardiac muscles hsa04020; hsa04260; hsa04261; hsa05410; hsa05414 33.7%
11 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 33.3%
12 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 33.1%
13 TRPM8 Q7Z2W7 Transient receptor potential cation channel subfamily M member 8 hsa04750 NA 32.4%
14 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 32.2%
15 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 31.4%
16 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 31.4%
17 SRD5A2 P31213 3-oxo-5-alpha-steroid 4-dehydrogenase 2 hsa00140; hsa05215 NA 31.3%
18 KCNK2 O95069 Potassium channel subfamily K member 2 hsa04927; hsa04934; hsa04971 4TWK 30.8%
19 SCN4A P35499 Sodium channel protein type 4 subunit alpha NA NA 30.6%
20 KCNK6 Q9Y257 Potassium channel subfamily K member 6 NA NA 30.0%



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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.