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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: DB00171
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational;
Nutraceutical		 SmallMoleculeDrug DB00171 ATP Thumb


42 known interactions (targets) of input drug (DB00171): ATP
No. Gene UniProt ID Protein Name Pathway PDB
1 SLC25A4 P12235 ADP/ATP translocase 1 hsa04020; hsa04022; hsa04217; hsa04218; hsa05012; hsa05016; hsa05166 NA
2 NAE1 Q13564 NEDD8-activating enzyme E1 regulatory subunit hsa05010 1R4M; 1R4N; 1TT5; 1YOV; 2NVU; 3DBH; 3DBL; 3DBR; 3GZN
3 ABCC1 P33527 Multidrug resistance-associated protein 1 hsa01523; hsa02010; hsa04071; hsa04977; hsa05206 2CBZ; 4C3Z
4 ABL2 P42684 Abelson tyrosine-protein kinase 2 hsa04012; hsa04014; hsa05416 2ECD; 2KK1; 2XYN; 3GVU; 3HMI; 3ULR; 4EIH
5 PIK3CA P42336 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform hsa00562; hsa01521; hsa01522; hsa01524; hsa04012; hsa04014; hsa04015; hsa04024; hsa04062; hsa04066; hsa04068; hsa04070; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04152; hsa04210; hsa04211; hsa04213; hsa04218; hsa04360; hsa04370; hsa04380; hsa04510; hsa04550; hsa04611; hsa04620; hsa04625; hsa04630; hsa04650; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04670; hsa04722; hsa04725; hsa04750; hsa04810; hsa04910; hsa04914; hsa04915; hsa04917; hsa04919; hsa04923; hsa04926; hsa04930; hsa04931; hsa04932; hsa04933; hsa04960; hsa04973; hsa05100; hsa05142; hsa05146; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05170; hsa05200; hsa05203; hsa05205; hsa05206; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05220; hsa05221; hsa05222; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231; hsa05418 2ENQ; 2RD0; 3HHM; 3HIZ; 3ZIM; 4JPS; 4L1B; 4L23; 4L2Y; 4OVU; 4OVV; 4TUU; 4TV3; 4WAF; 4YKN
6 ABCA1 O95477 ATP-binding cassette sub-family A member 1 hsa02010; hsa04975; hsa04979 NA
7 ACVRL1 P37023 Serine/threonine-protein kinase receptor R3 hsa04060 2LCR; 3MY0; 4FAO
8 ASNS P08243 Asparagine synthetase [glutamine-hydrolyzing] hsa00250; hsa01100; hsa01230 NA
9 TNK2 Q07912 Activated CDC42 kinase 1 NA 1CF4; 1U46; 1U4D; 1U54; 3EQP; 3EQR; 4EWH; 4HZR; 4HZS; 4ID7
10 ACVR1B P36896 Activin receptor type-1B hsa04060; hsa04350; hsa04550 NA
11 ABCC6 O95255 Multidrug resistance-associated protein 6 hsa02010 NA
12 AFG3L2 Q9Y4W6 AFG3-like protein 2 NA 2LNA
13 ADRBK1 P25098 Beta-adrenergic receptor kinase 1 hsa04062; hsa04144; hsa04340; hsa04724; hsa04740; hsa05032 1BAK; 3CIK; 3KRW; 3KRX; 3V5W; 4MK0; 4PNK
14 ABCG1 P45844 ATP-binding cassette sub-family G member 1 hsa02010 NA
15 PPP5C P53041 Serine/threonine-protein phosphatase 5 hsa04010 1A17; 1S95; 1WAO; 2BUG; 3H60; 3H61; 3H62; 3H63; 3H64; 3H66; 3H67; 3H68; 3H69
16 ALK Q9UM73 ALK tyrosine kinase receptor hsa05200; hsa05223
17 ABCC8 Q09428 ATP-binding cassette sub-family C member 8 hsa02010; hsa04911; hsa04930 NA
18 ABCC9 O60706 ATP-binding cassette sub-family C member 9 hsa02010 NA
19 CDK15 Q96Q40 Cyclin-dependent kinase 15 NA NA
20 ABCB1 P08183 Multidrug resistance protein 1 hsa02010; hsa04976; hsa05206; hsa05226 NA
21 ABCB11 O95342 Bile salt export pump hsa01522; hsa02010; hsa04976; hsa04979 NA
22 AMHR2 Q16671 Anti-Muellerian hormone type-2 receptor hsa04060; hsa04350 NA
23 ADRBK2 P35626 Beta-adrenergic receptor kinase 2 hsa04062; hsa04144; hsa04340; hsa04724; hsa04740; hsa05032 NA
24 ADCY1 Q08828 Adenylate cyclase type 1 hsa00230; hsa01522; hsa04015; hsa04020; hsa04022; hsa04024; hsa04062; hsa04072; hsa04114; hsa04211; hsa04213; hsa04261; hsa04270; hsa04371; hsa04540; hsa04611; hsa04713; hsa04714; hsa04720; hsa04723; hsa04724; hsa04725; hsa04727; hsa04750; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04921; hsa04923; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa04976; hsa05032; hsa05142; hsa05146; hsa05163; hsa05166; hsa05200; hsa05414 NA
25 AKT1 P31749 RAC-alpha serine/threonine-protein kinase hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04066; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04152; hsa04210; hsa04211; hsa04213; hsa04218; hsa04261; hsa04370; hsa04371; hsa04380; hsa04510; hsa04550; hsa04611; hsa04620; hsa04625; hsa04630; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04722; hsa04725; hsa04728; hsa04910; hsa04914; hsa04915; hsa04917; hsa04919; hsa04920; hsa04922; hsa04923; hsa04926; hsa04931; hsa04932; hsa04933; hsa04973; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05170; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05220; hsa05221; hsa05222; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231; hsa05418
26 ASNA1 O43681 ATPase ASNA1 NA NA
27 CFTR P13569 Cystic fibrosis transmembrane conductance regulator hsa02010; hsa04024; hsa04152; hsa04530; hsa04971; hsa04972; hsa04976; hsa05110 1NBD; 1XMI; 1XMJ; 2BBO; 2BBS; 2BBT; 2LOB; 2PZE; 2PZF; 2PZG; 3GD7; 3ISW
28 ASS1 P00966 Argininosuccinate synthase hsa00220; hsa00250; hsa01100; hsa01230; hsa05418 2NZ2
29 P2RY11 Q96G91 P2Y purinoceptor 11 hsa04080 2B6S
30 ABL1 P00519 Tyrosine-protein kinase ABL1 hsa04012; hsa04014; hsa04110; hsa04360; hsa04722; hsa05130; hsa05131; hsa05200; hsa05206; hsa05220; hsa05416
31 ACVR1 Q04771 Activin receptor type-1 hsa04060; hsa04350; hsa04550; hsa05418 3H9R; 3MTF; 3OOM; 3Q4U; 4BGG; 4C02; 4DYM
32 NT5C2 P49902 Cytosolic purine 5'-nucleotidase hsa00230; hsa00240; hsa00760; hsa01100 2J2C; 2JC9; 2JCM; 2XCV; 2XCW; 2XCX; 2XJB; 2XJC; 2XJD; 2XJE; 2XJF; 4H4B
33 ABCC4 O15439 Multidrug resistance-associated protein 4 hsa01523; hsa02010; hsa04024; hsa04976 NA
34 ACSS1 Q9NUB1 Acetyl-coenzyme A synthetase 2-like, mitochondrial hsa00010; hsa00620; hsa00630; hsa00640; hsa01100; hsa01200 3GLR; 3GLT; 3GLU; 4BVE; 4BVF; 4BVG; 4C78
35 ACSS2 Q9NR19 Acetyl-coenzyme A synthetase, cytoplasmic hsa00010; hsa00620; hsa00630; hsa00640; hsa01100; hsa01200 NA
36 ARAF P10398 Serine/threonine-protein kinase A-Raf hsa01521; hsa01522; hsa04010; hsa04012; hsa04068; hsa04270; hsa04650; hsa04720; hsa04726; hsa04730; hsa04810; hsa04910; hsa04914; hsa04928; hsa05034; hsa05160; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226 1WXM; 2MSE
37 APAF1 O14727 Apoptotic protease-activating factor 1 hsa01524; hsa04115; hsa04210; hsa04215; hsa05010; hsa05012; hsa05014; hsa05016; hsa05134; hsa05152; hsa05161; hsa05200; hsa05222 1C15; 1CWW; 1CY5; 1Z6T; 2P1H; 2YGS; 3J2T; 3JBT; 3YGS; 4RHW
38 ABCC2 Q92887 Canalicular multispecific organic anion transporter 1 hsa01523; hsa01524; hsa02010; hsa04976 NA
39 CSNK2B P67870 Casein kinase II subunit beta hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169 1DS5; 1JWH; 1QF8; 3EED; 4DGL; 4MD7; 4MD8; 4MD9; 4NH1
40 PRKAA1 Q13131 5'-AMP-activated protein kinase catalytic subunit alpha-1 hsa04068; hsa04140; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04371; hsa04530; hsa04710; hsa04714; hsa04910; hsa04920; hsa04921; hsa04922; hsa04931; hsa04932; hsa05410; hsa05418 4RED; 4RER; 4REW
41 ACSL1 P33121 Long-chain-fatty-acid--CoA ligase 1 hsa00061; hsa00071; hsa01100; hsa01212; hsa03320; hsa04146; hsa04216; hsa04714; hsa04920 NA
42 CSNK2A1 P68400 Casein kinase II subunit alpha hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169


20 predicted interactions (targets) of input drug (DB00171): ATP
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 HSP90AA1 P07900 Heat shock protein HSP 90-alpha hsa04141; hsa04151; hsa04217; hsa04612; hsa04621; hsa04657; hsa04659; hsa04914; hsa04915; hsa05200; hsa05215; hsa05418
1BYQ; 1OSF; 1UY6; 1UY7; 1UY8; 1UY9; 1UYC; 1UYD; 1UYE; 1UYF; 1UYG; 1UYH; 1UYI; 1UYK; 1UYL; 1YC1; 1YC3; 1YC4; 1YER; 1YES; 1YET; 2BSM; 2BT0; 2BUG; 2BYH; 2BYI; 2BZ5; 2C2L; 2CCS; 2CCT; 2CCU; 2CDD; 2FWY; 2FWZ; 2H55; 2JJC; 2K5B; 2QF6; 2QFO; 2QG0; 2QG2; 2UWD; 2VCI; 2VCJ; 2WI1; 2WI2; 2WI3; 2WI4; 2WI5; 2WI6; 2WI7; 2XAB; 2XDK; 2XDL; 2XDS; 2XDU; 2XDX; 2XHR; 2XHT; 2XHX; 2XJG; 2XJJ; 2XJX; 2XK2; 2YE2; 2YE3; 2YE4; 2YE5; 2YE6; 2YE7; 2YE8; 2YE9; 2YEA; 2YEB; 2YEC; 2YED; 2YEE; 2YEF; 2YEG; 2YEH; 2YEI; 2YEJ; 2YI0; 2YI5; 2YI6; 2YI7; 2YJW; 2YJX; 2YK2; 2YK9; 2YKB; 2YKC; 2YKE; 2YKI; 2YKJ; 3B24; 3B25; 3B26; 3B27; 3B28; 3BM9; 3BMY; 3D0B; 3EKO; 3EKR; 3FT5; 3FT8; 3HEK; 3HHU; 3HYY; 3HYZ; 3HZ1; 3HZ5; 3INW; 3INX; 3K97; 3K98; 3K99; 3MNR; 3O0I; 3OW6; 3OWB; 3OWD; 3Q6M; 3Q6N; 3QDD; 3QTF; 3R4M; 3R4N; 3R4O; 3R4P; 3R91; 3R92; 3RKZ; 3RLP; 3RLQ; 3RLR; 3T0H; 3T0Z; 3T10; 3T1K; 3T2S; 3TUH; 3VHA; 3VHC; 3VHD; 3WHA; 3WQ9; 4AIF; 4AWO; 4AWP; 4AWQ; 4B7P; 4BQJ; 4CGQ; 4CGU; 4CGV; 4CGW; 4CWF; 4CWN; 4CWO; 4CWP; 4CWQ; 4CWR; 4CWS; 4CWT; 4EEH; 4EFT; 4EFU; 4EGH; 4EGI; 4EGK; 4FCP; 4FCQ; 4FCR; 4HY6; 4JQL; 4L8Z; 4L90; 4L91; 4L93; 4L94; 4LWE; 4LWF; 4LWG; 4LWH; 4LWI; 4NH7; 4NH8; 4O04; 4O05; 4O07; 4O09; 4O0B; 4R3M; 4U93; 4W7T; 4XIP; 4XIQ; 4XIR; 4XIT
 47.2%
2 ACTA1 P68133 Actin, alpha skeletal muscle NA 1T44 36.0%
3 BCR P11274 Breakpoint cluster region protein hsa05200; hsa05220 1K1F; 2AIN 34.4%
4 LCK P06239 Tyrosine-protein kinase Lck hsa04064; hsa04380; hsa04650; hsa04658; hsa04659; hsa04660; hsa05166; hsa05340 34.2%
5 AURKA O14965 Aurora kinase A hsa04114; hsa04914 34.0%
6 MBL2 P11226 Mannose-binding protein C hsa04145; hsa04610; hsa05150 1HUP 32.9%
7 CASP1 P29466 Caspase-1 hsa04217; hsa04621; hsa04623; hsa04625; hsa05014; hsa05132; hsa05133; hsa05134; hsa05164 31.5%
8 RAF1 P04049 RAF proto-oncogene serine/threonine-protein kinase hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04270; hsa04360; hsa04370; hsa04371; hsa04510; hsa04540; hsa04550; hsa04625; hsa04630; hsa04650; hsa04660; hsa04662; hsa04664; hsa04666; hsa04720; hsa04722; hsa04726; hsa04730; hsa04810; hsa04910; hsa04912; hsa04914; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04928; hsa05034; hsa05152; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05205; hsa05206; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 1C1Y; 1FAQ; 1FAR; 1GUA; 1RFA; 3CU8; 3IQJ; 3IQU; 3IQV; 3KUC; 3KUD; 3NKX; 3O8I; 3OMV; 4FJ3; 4G0N; 4G3X; 4IEA; 4IHL 31.3%
9 POLA1 P09884 DNA polymerase alpha catalytic subunit hsa00230; hsa00240; hsa01100; hsa03030 1K0P; 1K18; 1N5G; 4Q5V; 4QCL; 4Y97 29.2%
10 DAO P14920 D-amino-acid oxidase hsa00260; hsa00330; hsa00472; hsa01100; hsa04146 2DU8; 2E48; 2E49; 2E4A; 2E82; 2GNZ; 3CUK; 3G3E; 3W4I; 3W4J; 3W4K; 3ZNN; 3ZNO; 3ZNP; 3ZNQ; 4QFC; 4QFD 29.1%
11 TGFBR1 P36897 TGF-beta receptor type-1 hsa04010; hsa04060; hsa04068; hsa04144; hsa04218; hsa04350; hsa04371; hsa04380; hsa04390; hsa04520; hsa04659; hsa04926; hsa04933; hsa05142; hsa05161; hsa05166; hsa05200; hsa05210; hsa05212; hsa05220; hsa05225; hsa05226 29.1%
12 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 28.9%
13 ADK P55263 Adenosine kinase hsa00230; hsa01100 1BX4; 2I6A; 2I6B; 4O1L 28.3%
14 MET P08581 Hepatocyte growth factor receptor hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04360; hsa04510; hsa04520; hsa05100; hsa05120; hsa05144; hsa05200; hsa05202; hsa05205; hsa05206; hsa05211; hsa05218; hsa05225; hsa05226; hsa05230 28.0%
15 APP P05067 Amyloid beta A4 protein hsa04726; hsa05010 27.7%
16 CFB P00751 Complement factor B hsa04610; hsa05150 1DLE; 1Q0P; 1RRK; 1RS0; 1RTK; 2OK5; 2WIN; 2XWB; 2XWJ; 3HRZ; 3HS0 27.5%
17 RPS6KA1 Q15418 Ribosomal protein S6 kinase alpha-1 hsa04010; hsa04114; hsa04150; hsa04714; hsa04720; hsa04722; hsa04914; hsa04931 2WNT; 2Z7Q; 2Z7R; 2Z7S; 3RNY; 3TEI; 4H3P; 4NIF; 5CSF; 5CSI; 5CSJ; 5CSN 27.4%
18 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 27.3%
19 RET O43519 RET proto-oncogene NA NA 27.2%
20 FLT3 P36888 Receptor-type tyrosine-protein kinase FLT3 hsa04010; hsa04014; hsa04151; hsa04640; hsa05200; hsa05202; hsa05221; hsa05230 1RJB; 3QS7; 3QS9; 4RT7; 4XUF 27.1%


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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.