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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: DB01427
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB01427 Amrinone Thumb


3 known interactions (targets) of input drug (DB01427): Amrinone
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC
2 TNF P01375 Tumor necrosis factor hsa01523; hsa04010; hsa04060; hsa04064; hsa04071; hsa04150; hsa04210; hsa04217; hsa04350; hsa04380; hsa04612; hsa04620; hsa04621; hsa04622; hsa04625; hsa04640; hsa04650; hsa04657; hsa04660; hsa04664; hsa04668; hsa04920; hsa04930; hsa04931; hsa04932; hsa04933; hsa04940; hsa05010; hsa05014; hsa05133; hsa05134; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05166; hsa05168; hsa05170; hsa05205; hsa05310; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05410; hsa05414; hsa05418 1A8M; 1TNF; 2AZ5; 2E7A; 2TUN; 2ZJC; 2ZPX; 3ALQ; 3IT8; 3L9J; 3WD5; 4G3Y; 4TSV; 4TWT; 5TSW
3 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032


20 predicted interactions (targets) of input drug (DB01427): Amrinone
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX 48.5%
2 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032 46.1%
3 PDE4C Q08493 cAMP-specific 3',5'-cyclic phosphodiesterase 4C hsa00230; hsa04024; hsa04928; hsa05032 1LXU; 2QYM 37.9%
4 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 34.9%
5 IL6 P05231 Interleukin-6 hsa01521; hsa01523; hsa04060; hsa04066; hsa04068; hsa04151; hsa04218; hsa04620; hsa04621; hsa04623; hsa04625; hsa04630; hsa04640; hsa04657; hsa04659; hsa04668; hsa04672; hsa04931; hsa04932; hsa04933; hsa05020; hsa05132; hsa05133; hsa05134; hsa05142; hsa05143; hsa05144; hsa05146; hsa05152; hsa05161; hsa05162; hsa05163; hsa05164; hsa05166; hsa05167; hsa05168; hsa05200; hsa05202; hsa05321; hsa05323; hsa05332; hsa05410 1ALU; 1IL6; 1N2Q; 1P9M; 2IL6; 4CNI; 4J4L; 4NI7; 4NI9; 4O9H 31.6%
6 ADORA2A P29274 Adenosine receptor A2a hsa04015; hsa04020; hsa04024; hsa04080; hsa04270; hsa05012; hsa05034 1MMH; 1UPE; 2YDO; 2YDV; 3EML; 3PWH; 3QAK; 3REY; 3RFM; 3UZA; 3UZC; 3VG9; 3VGA; 4EIY; 4UG2; 4UHR 30.9%
7 IL1B P01584 Interleukin-1 beta hsa01523; hsa04010; hsa04060; hsa04064; hsa04217; hsa04380; hsa04620; hsa04621; hsa04623; hsa04625; hsa04640; hsa04657; hsa04659; hsa04668; hsa04750; hsa04932; hsa04933; hsa04940; hsa05010; hsa05020; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05143; hsa05144; hsa05146; hsa05152; hsa05162; hsa05163; hsa05164; hsa05168; hsa05321; hsa05323; hsa05332; hsa05418 22.1%
8 PDE1B Q01064 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXR; 1TAZ; 4NPV; 4NPW 21.5%
9 PLAT P00750 Tissue-type plasminogen activator hsa04371; hsa04610; hsa05202; hsa05215; hsa05418 1A5H; 1BDA; 1PK2; 1PML; 1RTF; 1TPG; 1TPK; 1TPM; 1TPN; 5BRR 21.2%
10 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 20.7%
11 IFNG P01579 Interferon gamma hsa03050; hsa04060; hsa04066; hsa04217; hsa04350; hsa04380; hsa04612; hsa04630; hsa04650; hsa04657; hsa04658; hsa04659; hsa04660; hsa04940; hsa05132; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05162; hsa05164; hsa05168; hsa05169; hsa05200; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05418 1EKU; 1FG9; 1FYH; 1HIG; 3BES 20.1%
12 ADORA2B P29275 Adenosine receptor A2b hsa04015; hsa04020; hsa04080; hsa04270; hsa05034 NA 19.1%
13 HDAC2 Q92769 Histone deacetylase 2 hsa04110; hsa04213; hsa04330; hsa04919; hsa05016; hsa05034; hsa05165; hsa05169; hsa05200; hsa05202; hsa05203; hsa05220 3MAX; 4LXZ; 4LY1 17.8%
14 ADORA3 P0DMS8 Adenosine receptor A3 hsa04022; hsa04071; hsa04080 1OEA; 1R7N 17.5%
15 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 17.5%
16 HINT1 P49773 Histidine triad nucleotide-binding protein 1 NA 1AV5; 1KPA; 1KPB; 1KPC; 1KPE; 1KPF; 3TW2; 4EQE; 4EQG; 4EQH 16.8%
17 ITPR3 Q14573 Inositol 1,4,5-trisphosphate receptor type 3 hsa04020; hsa04022; hsa04070; hsa04114; hsa04210; hsa04218; hsa04270; hsa04371; hsa04540; hsa04611; hsa04621; hsa04625; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04728; hsa04730; hsa04742; hsa04750; hsa04911; hsa04912; hsa04915; hsa04918; hsa04921; hsa04922; hsa04924; hsa04925; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa05010; hsa05163; hsa05167; hsa05170; hsa05205 NA 16.8%
18 PDE1A P54750 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXQ 16.7%
19 F2 P00734 Prothrombin hsa04080; hsa04610; hsa04810
1A2C; 1A3B; 1A3E; 1A46; 1A4W; 1A5G; 1A61; 1ABI; 1ABJ; 1AD8; 1AE8; 1AFE; 1AHT; 1AI8; 1AIX; 1AWF; 1AWH; 1AY6; 1B5G; 1B7X; 1BA8; 1BB0; 1BCU; 1BHX; 1BMM; 1BMN; 1BTH; 1C1U; 1C1V; 1C1W; 1C4U; 1C4V; 1C4Y; 1C5L; 1C5N; 1C5O; 1CA8; 1D3D; 1D3P; 1D3Q; 1D3T; 1D4P; 1D6W; 1D9I; 1DE7; 1DIT; 1DM4; 1DOJ; 1DWB; 1DWC; 1DWD; 1DWE; 1DX5; 1E0F; 1EB1; 1EOJ; 1EOL; 1FPC; 1FPH; 1G30; 1G32; 1G37; 1GHV; 1GHW; 1GHX; 1GHY; 1GJ4; 1GJ5; 1H8D; 1H8I; 1HAG; 1HAH; 1HAI; 1HAO; 1HAP; 1HBT; 1HDT; 1HGT; 1HLT; 1HUT; 1HXE; 1HXF; 1IHS; 1IHT; 1JMO; 1JOU; 1JWT; 1K21; 1K22; 1KTS; 1KTT; 1LHC; 1LHD; 1LHE; 1LHF; 1LHG; 1MH0; 1MU6; 1MU8; 1MUE; 1NM6; 1NO9; 1NRN; 1NRO; 1NRP; 1NRQ; 1NRR; 1NRS; 1NT1; 1NU7; 1NU9; 1NY2; 1NZQ; 1O0D; 1O2G; 1O5G; 1OOK; 1OYT; 1P8V; 1PPB; 1QBV; 1QHR; 1QJ1; 1QJ6; 1QJ7; 1QUR; 1RD3; 1RIW; 1SB1; 1SFQ; 1SG8; 1SGI; 1SHH; 1SL3; 1SR5; 1T4U; 1T4V; 1TA2; 1TA6; 1TB6; 1TBZ; 1THP; 1THR; 1THS; 1TMB; 1TMT; 1TMU; 1TOM; 1TQ0; 1TQ7; 1TWX; 1UMA; 1UVS; 1VR1; 1VZQ; 1W7G; 1WAY; 1WBG; 1XM1; 1XMN; 1YPE; 1YPG; 1YPJ; 1YPK; 1YPL; 1YPM; 1Z71; 1Z8I; 1Z8J; 1ZGI; 1ZGV; 1ZRB; 2A0Q; 2A2X; 2A45; 2AFQ; 2ANK; 2ANM; 2B5T; 2BDY; 2BVR; 2BVS; 2BVX; 2BXT; 2BXU; 2C8W; 2C8X; 2C8Y; 2C8Z; 2C90; 2C93; 2CF8; 2CF9; 2CN0; 2FEQ; 2FES; 2GDE; 2GP9; 2H9T; 2HGT; 2HNT; 2HPP; 2HPQ; 2HWL; 2JH0; 2JH5; 2JH6; 2OD3; 2PGB; 2PGQ; 2PKS; 2PW8; 2R2M; 2THF; 2UUF; 2UUJ; 2UUK; 2V3H; 2V3O; 2ZC9; 2ZDA; 2ZDV; 2ZF0; 2ZFF; 2ZFP; 2ZFQ; 2ZFR; 2ZG0; 2ZGB; 2ZGX; 2ZHE; 2ZHF; 2ZHQ; 2ZHW; 2ZI2; 2ZIQ; 2ZNK; 2ZO3; 3B23; 3B9F; 3BEF; 3BEI; 3BF6; 3BIU; 3BIV; 3BV9; 3C1K; 3C27; 3D49; 3DA9; 3DD2; 3DHK; 3DT0; 3DUX; 3E6P; 3EE0; 3EGK; 3EQ0; 3F68; 3GIC; 3GIS; 3HAT; 3HKJ; 3HTC; 3JZ1; 3JZ2; 3K65; 3LDX; 3LU9; 3NXP; 3P17; 3P6Z; 3P70; 3PMH; 3PO1; 3QDZ; 3QGN; 3QLP; 3QTO; 3QTV; 3QWC; 3QX5; 3R3G; 3RLW; 3RLY; 3RM0; 3RM2; 3RML; 3RMM; 3RMN; 3RMO; 3S7H; 3S7K; 3SHA; 3SHC; 3SI3; 3SI4; 3SQE; 3SQH; 3SV2; 3T5F; 3TU7; 3U69; 3U8O; 3U8R; 3U8T; 3U98; 3U9A; 3UTU; 3UWJ; 3VXE; 3VXF; 4AX9; 4AYV; 4AYY; 4AZ2; 4BAH; 4BAK; 4BAM; 4BAN; 4BAO; 4BAQ; 4BOH; 4CH2; 4CH8; 4DIH; 4DII; 4DT7; 4DY7; 4E05; 4E06; 4E7R; 4H6S; 4H6T; 4HFP; 4HTC; 4HZH; 4I7Y; 4LOY; 4LXB; 4LZ1; 4LZ4; 4MLF; 4N3L; 4NZE; 4NZQ; 4O03; 4RKJ; 4RKO; 4RN6; 4THN; 4UD9; 4UDW; 4UE7; 4UEH; 4YES; 5AF9; 5AFY; 5AFZ; 5AHG; 5E8E; 5GDS; 7KME; 8KME
 16.7%
20 PDE6B P35913 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit beta hsa00230; hsa04744 NA 16.5%


  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.