QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: DB02152
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB02152 K-252a Thumb


2 known interactions (targets) of input drug (DB02152): K-252a
No. Gene UniProt ID Protein Name Pathway PDB
1 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
2 MAP2K1 Q02750 Dual specificity mitogen-activated protein kinase kinase 1 hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04066; hsa04068; hsa04071; hsa04072; hsa04114; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04270; hsa04370; hsa04371; hsa04380; hsa04510; hsa04540; hsa04550; hsa04620; hsa04650; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04720; hsa04722; hsa04725; hsa04726; hsa04730; hsa04810; hsa04910; hsa04912; hsa04914; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04928; hsa04934; hsa05020; hsa05034; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05205; hsa05206; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231


20 predicted interactions (targets) of input drug (DB02152): K-252a
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ERBB2 P04626 Receptor tyrosine-protein kinase erbB-2 hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04020; hsa04066; hsa04151; hsa04510; hsa04520; hsa04530; hsa05200; hsa05205; hsa05206; hsa05212; hsa05213; hsa05215; hsa05219; hsa05223; hsa05224; hsa05226; hsa05230 21.0%
2 FLT3 P36888 Receptor-type tyrosine-protein kinase FLT3 hsa04010; hsa04014; hsa04151; hsa04640; hsa05200; hsa05202; hsa05221; hsa05230 1RJB; 3QS7; 3QS9; 4RT7; 4XUF 20.3%
3 NOS2 P35228 Nitric oxide synthase, inducible hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222 1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS 18.2%
4 ABL1 P00519 Tyrosine-protein kinase ABL1 hsa04012; hsa04014; hsa04110; hsa04360; hsa04722; hsa05130; hsa05131; hsa05200; hsa05206; hsa05220; hsa05416 16.8%
5 MAOA P21397 Amine oxidase [flavin-containing] A hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 1H8Q; 2BXR; 2BXS; 2Z5X; 2Z5Y 16.6%
6 GRIA2 P42262 Glutamate receptor 2 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05030; hsa05031; hsa05033 2WJW; 2WJX; 2XHD; 3R7X; 3RN8; 3RNN; 3UA8 16.4%
7 MAP2K2 P36507 Dual specificity mitogen-activated protein kinase kinase 2 hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04066; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04270; hsa04370; hsa04371; hsa04540; hsa04550; hsa04620; hsa04650; hsa04660; hsa04662; hsa04664; hsa04720; hsa04722; hsa04730; hsa04810; hsa04910; hsa04912; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04934; hsa05020; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05205; hsa05206; hsa05210; hsa05211; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 1S9I; 4H3Q 16.0%
8 MAPK10 P53779 Mitogen-activated protein kinase 10 hsa01522; hsa04010; hsa04012; hsa04014; hsa04024; hsa04068; hsa04071; hsa04137; hsa04140; hsa04141; hsa04210; hsa04215; hsa04217; hsa04310; hsa04380; hsa04510; hsa04530; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04664; hsa04668; hsa04722; hsa04723; hsa04728; hsa04750; hsa04910; hsa04912; hsa04914; hsa04917; hsa04920; hsa04926; hsa04930; hsa04931; hsa04932; hsa04933; hsa05120; hsa05131; hsa05132; hsa05133; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05164; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05210; hsa05212; hsa05231; hsa05418 15.6%
9 ERBB4 Q15303 Receptor tyrosine-protein kinase erbB-4 hsa04010; hsa04012; hsa04020; hsa04151; hsa05205 2AHX; 2L2T; 2LCX; 2R4B; 3BBT; 3BBW; 3BCE; 3U2P; 3U7U; 3U9U 15.3%
10 ABO P16442 Histo-blood group ABO system transferase hsa00601; hsa01100 15.0%
11 EGFR P00533 Epidermal growth factor receptor hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04066; hsa04068; hsa04072; hsa04144; hsa04151; hsa04510; hsa04520; hsa04540; hsa04630; hsa04810; hsa04912; hsa04915; hsa04921; hsa04926; hsa04928; hsa04934; hsa05120; hsa05160; hsa05163; hsa05165; hsa05200; hsa05205; hsa05206; hsa05210; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 14.8%
12 IL17A Q16552 Interleukin-17A hsa04060; hsa04657; hsa04659; hsa05321; hsa05323 2VXS; 4HR9; 4HSA; 4QHU 14.7%
13 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 14.1%
14 XDH P47989 Xanthine dehydrogenase/oxidase hsa00230; hsa00232; hsa00983; hsa01100; hsa04146 2CKJ; 2E1Q 13.7%
15 AHCY P23526 Adenosylhomocysteinase hsa00270; hsa01100 1A7A; 1LI4; 3NJ4; 4PFJ; 4PGF 13.6%
16 ITGAL P20701 Integrin alpha-L hsa04015; hsa04514; hsa04650; hsa04670; hsa04810; hsa05144; hsa05150; hsa05166; hsa05169; hsa05323; hsa05416 13.4%
17 DCK P27707 Deoxycytidine kinase hsa00230; hsa00240; hsa01100 13.4%
18 RET P07949 Proto-oncogene tyrosine-protein kinase receptor Ret hsa05200; hsa05216; hsa05230 1XPD; 2IVS; 2IVT; 2IVU; 2IVV; 2X2K; 2X2L; 2X2M; 2X2U; 4CKI; 4CKJ; 4UX8 13.3%
19 GRB2 P62993 Growth factor receptor-bound protein 2 hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04062; hsa04068; hsa04072; hsa04150; hsa04151; hsa04380; hsa04510; hsa04540; hsa04550; hsa04630; hsa04650; hsa04660; hsa04662; hsa04664; hsa04714; hsa04722; hsa04910; hsa04912; hsa04915; hsa04917; hsa04926; hsa05034; hsa05160; hsa05161; hsa05163; hsa05165; hsa05200; hsa05203; hsa05205; hsa05206; hsa05210; hsa05211; hsa05213; hsa05214; hsa05215; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05231 13.3%
20 ALK Q9UM73 ALK tyrosine kinase receptor hsa05200; hsa05223 13.0%


  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.