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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: DB01373
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB01373 Calcium Thumb


20 known interactions (targets) of input drug (DB01373): Calcium
No. Gene UniProt ID Protein Name Pathway PDB
1 PCDH19 Q8TAB3 Protocadherin-19 NA NA
2 TNNC2 P02585 Troponin C, skeletal muscle hsa04020 NA
3 SPTBN1 Q01082 Spectrin beta chain, non-erythrocytic 1 NA 1AA2; 1BKR; 3EDV
4 ALPP P05187 Alkaline phosphatase, placental type hsa00730; hsa00790; hsa01100 1EW2; 1ZEB; 1ZED; 1ZEF; 2GLQ; 3MK0; 3MK1; 3MK2
5 S100B P04271 Protein S100-B NA 1MQ1; 1UWO; 2H61; 2M49; 2PRU; 3CZT; 3D0Y; 3D10; 3HCM; 4XYN; 5CSF; 5CSI; 5CSJ; 5CSN
6 CP P00450 Ceruloplasmin hsa00860; hsa04216 1KCW; 2J5W; 4EJX; 4ENZ
7 COMP P49747 Cartilage oligomeric matrix protein hsa04145; hsa04151; hsa04510; hsa04512; hsa05144; hsa05165 3FBY
8 AOC1 P19801 Amiloride-sensitive amine oxidase [copper-containing] hsa00330; hsa00340; hsa00380; hsa01100 3HI7; 3HIG; 3HII; 3K5T; 3MPH
9 BMP4 P12644 Bone morphogenetic protein 4 hsa04060; hsa04350; hsa04390; hsa04550; hsa04919; hsa05200; hsa05217; hsa05418 NA
10 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
11 CAST P20810 Calpastatin NA NA
12 S100A13 Q99584 Protein S100-A13 NA 1YUR; 1YUS; 1YUT; 1YUU; 2EGD; 2H2K; 2K8M; 2KI4; 2KI6; 2KOT; 2L5X; 2LE9
13 TNNC1 P63316 Troponin C, slow skeletal and cardiac muscles hsa04020; hsa04260; hsa04261; hsa05410; hsa05414
14 MGP P08493 Matrix Gla protein NA NA
15 S100A8 P05109 Protein S100-A8 hsa04657 1MR8; 1XK4; 4GGF; 4XJK; 5HLO; 5HLV
16 S100A9 P06702 Protein S100-A9 hsa04657 1IRJ; 1XK4; 4GGF; 4XJK; 5I8N
17 CALM1 P0DP23 Calmodulin NA
18 ATP2C1 P98194 Calcium-transporting ATPase type 2C member 1 NA NA
19 S100A2 P29034 Protein S100-A2 NA 2RGI; 4DUQ
20 PDCD6 O75340 Programmed cell death protein 6 NA 2ZN8; 2ZN9; 2ZND; 2ZNE; 2ZRS; 2ZRT; 3AAJ; 3AAK; 3WXA


20 predicted interactions (targets) of input drug (DB01373): Calcium
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 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 56.4%
2 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH 53.1%
3 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 47.2%
4 CACNA2D1 P54289 Voltage-dependent calcium channel subunit alpha-2/delta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 46.1%
5 OPRD1 P41143 Delta-type opioid receptor hsa04022; hsa04071; hsa04080 1OZC; 2IQM; 4N6H; 4RWA; 4RWD 44.9%
6 CASR P41180 Extracellular calcium-sensing receptor hsa04621; hsa04928 NA 43.3%
7 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 41.7%
8 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 41.6%
9 CACNB2 Q08289 Voltage-dependent L-type calcium channel subunit beta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 41.3%
10 CA2 P00918 Carbonic anhydrase 2 hsa00910; hsa04964; hsa04966; hsa04971; hsa04972; hsa04976
12CA; 1A42; 1AM6; 1AVN; 1BCD; 1BIC; 1BN1; 1BN3; 1BN4; 1BNM; 1BNN; 1BNQ; 1BNT; 1BNU; 1BNV; 1BNW; 1BV3; 1CA2; 1CA3; 1CAH; 1CAI; 1CAJ; 1CAK; 1CAL; 1CAM; 1CAN; 1CAO; 1CAY; 1CAZ; 1CCS; 1CCT; 1CCU; 1CIL; 1CIM; 1CIN; 1CNB; 1CNC; 1CNG; 1CNH; 1CNI; 1CNJ; 1CNK; 1CNW; 1CNX; 1CNY; 1CRA; 1CVA; 1CVB; 1CVC; 1CVD; 1CVE; 1CVF; 1CVH; 1DCA; 1DCB; 1EOU; 1F2W; 1FQL; 1FQM; 1FQN; 1FQR; 1FR4; 1FR7; 1FSN; 1FSQ; 1FSR; 1G0E; 1G0F; 1G1D; 1G3Z; 1G45; 1G46; 1G48; 1G4J; 1G4O; 1G52; 1G53; 1G54; 1H4N; 1H9N; 1H9Q; 1HCA; 1HEA; 1HEB; 1HEC; 1HED; 1HVA; 1I8Z; 1I90; 1I91; 1I9L; 1I9M; 1I9N; 1I9O; 1I9P; 1I9Q; 1IF4; 1IF5; 1IF6; 1IF7; 1IF8; 1IF9; 1KWQ; 1KWR; 1LG5; 1LG6; 1LGD; 1LUG; 1LZV; 1MOO; 1MUA; 1OKL; 1OKM; 1OKN; 1OQ5; 1RAY; 1RAZ; 1RZA; 1RZB; 1RZC; 1RZD; 1RZE; 1T9N; 1TB0; 1TBT; 1TE3; 1TEQ; 1TEU; 1TG3; 1TG9; 1TH9; 1THK; 1TTM; 1UGA; 1UGB; 1UGC; 1UGD; 1UGE; 1UGF; 1UGG; 1XEG; 1XEV; 1XPZ; 1XQ0; 1YDA; 1YDB; 1YDC; 1YDD; 1YO0; 1YO1; 1YO2; 1Z9Y; 1ZE8; 1ZFK; 1ZFQ; 1ZGE; 1ZGF; 1ZH9; 1ZSA; 1ZSB; 1ZSC; 2ABE; 2AW1; 2AX2; 2CA2; 2CBA; 2CBB; 2CBC; 2CBD; 2CBE; 2EU2; 2EU3; 2EZ7; 2F14; 2FMG; 2FMZ; 2FNK; 2FNM; 2FNN; 2FOQ; 2FOS; 2FOU; 2FOV; 2GD8; 2GEH; 2H15; 2H4N; 2HD6; 2HKK; 2HL4; 2HNC; 2HOC; 2ILI; 2NNG; 2NNO; 2NNS; 2NNV; 2NWO; 2NWP; 2NWY; 2NWZ; 2NXR; 2NXS; 2NXT; 2O4Z; 2OSF; 2OSM; 2POU; 2POV; 2POW; 2Q1B; 2Q1Q; 2Q38; 2QO8; 2QOA; 2QP6; 2VVA; 2VVB; 2WD2; 2WD3; 2WEG; 2WEH; 2WEJ; 2WEO; 2X7S; 2X7T; 2X7U; 3B4F; 3BET; 3BL0; 3BL1; 3C7P; 3CA2; 3CAJ; 3CYU; 3D8W; 3D92; 3D93; 3D9Z; 3DAZ; 3DBU; 3DC3; 3DC9; 3DCC; 3DCS; 3DCW; 3DD0; 3DD8; 3DV7; 3DVB; 3DVC; 3DVD; 3EFI; 3EFT; 3F4X; 3F8E; 3FFP; 3GZ0; 3HFP; 3HKN; 3HKQ; 3HKT; 3HKU; 3HLJ; 3HS4; 3IBI; 3IBL; 3IBN; 3IBU; 3IEO; 3IGP; 3K2F; 3K34; 3K7K; 3KIG; 3KKX; 3KNE; 3KOI; 3KOK; 3KON; 3KS3; 3KWA; 3L14; 3M04; 3M14; 3M1J; 3M1K; 3M1Q; 3M1W; 3M2N; 3M2X; 3M2Y; 3M2Z; 3M3X; 3M40; 3M5E; 3M5S; 3M5T; 3M67; 3M96; 3M98; 3MHC; 3MHI; 3MHL; 3MHM; 3MHO; 3ML2; 3MMF; 3MNA; 3MNH; 3MNI; 3MNJ; 3MNK; 3MNU; 3MWO; 3MYQ; 3MZC; 3N0N; 3N2P; 3N3J; 3N4B; 3NB5; 3NI5; 3NJ9; 3OIK; 3OIL; 3OIM; 3OKU; 3OKV; 3OY0; 3OYQ; 3OYS; 3P3H; 3P3J; 3P44; 3P4V; 3P55; 3P58; 3P5A; 3P5L; 3PJJ; 3PO6; 3PYK; 3QYK; 3R16; 3R17; 3RG3; 3RG4; 3RGE; 3RJ7; 3RLD; 3RYJ; 3RYV; 3RYX; 3RYY; 3RYZ; 3RZ0; 3RZ1; 3RZ5; 3RZ7; 3RZ8; 3S71; 3S72; 3S73; 3S74; 3S75; 3S76; 3S77; 3S78; 3S8X; 3S9T; 3SAP; 3SAX; 3SBH; 3SBI; 3T5U; 3T5Z; 3T82; 3T83; 3T84; 3T85; 3TMJ; 3TVN; 3TVO; 3U3A; 3U45; 3U47; 3U7C; 3V2J; 3V2M; 3V3F; 3V3G; 3V3H; 3V3I; 3V3J; 3V5G; 3V7X; 3VBD; 3ZP9; 4BCW; 4BF1; 4BF6; 4CA2; 4CAC; 4CQ0; 4DZ7; 4DZ9; 4E3D; 4E3F; 4E3G; 4E3H; 4E49; 4E4A; 4E5Q; 4FIK; 4FL7; 4FPT; 4FRC; 4FU5; 4FVN; 4FVO; 4G0C; 4GL1; 4HBA; 4HEW; 4HEY; 4HEZ; 4HF3; 4HT0; 4IDR; 4ILX; 4ITO; 4ITP; 4IWZ; 4JS6; 4JSA; 4JSS; 4JSW; 4JSZ; 4K0S; 4K0T; 4K0Z; 4K13; 4K1Q; 4KAP; 4KNI; 4KNJ; 4KUV; 4KUW; 4KUY; 4KV0; 4L5U; 4L5V; 4L5W; 4LHI; 4LP6; 4M2R; 4M2U; 4M2V; 4M2W; 4MDG; 4MDL; 4MDM; 4MLT; 4MLX; 4MO8; 4MTY; 4N0X; 4N16; 4PQ7; 4PXX; 4PYX; 4PYY; 4PZH; 4Q06; 4Q07; 4Q08; 4Q09; 4Q49; 4Q6D; 4Q6E; 4Q78; 4Q7P; 4Q7S; 4Q7V; 4Q7W; 4Q81; 4Q83; 4Q87; 4Q8X; 4Q8Y; 4Q8Z; 4Q90; 4Q99; 4Q9Y; 4QEF; 4QIY; 4QJM; 4QK1; 4QK2; 4QK3; 4QSA; 4QSB; 4QSI; 4QTL; 4QY3; 4R59; 4R5A; 4R5B; 4RFC; 4RFD; 4RH2; 4RIU; 4RIV; 4RN4; 4RUX; 4RUY; 4RUZ; 4WL4; 4WW6; 4XE1; 4Y0J; 4YGJ; 4YGK; 4YGL; 4YGN; 4YWP; 4Z0Q; 4Z1E; 4Z1J; 4Z1K; 4Z1N; 4ZAO; 4ZWI; 4ZWX; 4ZWY; 4ZWZ; 4ZX0; 4ZX1; 5AMD; 5AMG; 5AML; 5BNL; 5BRU; 5BRV; 5BRW; 5BYI; 5CA2; 5CAC; 5CLU; 5E2R; 6CA2; 7CA2; 8CA2; 9CA2
 39.4%
11 AGTR1 P30556 Type-1 angiotensin II receptor hsa04020; hsa04022; hsa04072; hsa04080; hsa04261; hsa04270; hsa04371; hsa04614; hsa04924; hsa04925; hsa04927; hsa04933; hsa04934; hsa05200 1ZV0; 4YAY; 4ZUD 37.1%
12 SRC P12931 Proto-oncogene tyrosine-protein kinase Src hsa01521; hsa01522; hsa04012; hsa04015; hsa04062; hsa04137; hsa04144; hsa04360; hsa04370; hsa04510; hsa04520; hsa04530; hsa04540; hsa04611; hsa04625; hsa04727; hsa04750; hsa04810; hsa04912; hsa04915; hsa04917; hsa04919; hsa04921; hsa04926; hsa05100; hsa05120; hsa05131; hsa05152; hsa05161; hsa05163; hsa05167; hsa05203; hsa05205; hsa05219; hsa05418 36.5%
13 CACNA1H O95180 Voltage-dependent T-type calcium channel subunit alpha-1H hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 36.4%
14 SLC18A2 Q05940 Synaptic vesicular amine transporter hsa04721; hsa04726; hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 35.1%
15 CACNB1 Q02641 Voltage-dependent L-type calcium channel subunit beta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 35.0%
16 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 34.6%
17 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 33.8%
18 CA1 P00915 Carbonic anhydrase 1 hsa00910 31.6%
19 CACNA1G O43497 Voltage-dependent T-type calcium channel subunit alpha-1G hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04930; hsa04934 NA 31.6%
20 CACNB3 P54284 Voltage-dependent L-type calcium channel subunit beta-3 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 31.1%


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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.