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: DB01045
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB01045 Rifampicin Thumb


7 known interactions (targets) of input drug (DB01045): Rifampicin
No. Gene UniProt ID Protein Name Pathway PDB
1 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA
2 SLCO1B1 Q9Y6L6 Solute carrier organic anion transporter family member 1B1 hsa04976 NA
3 SLCO1B3 Q9NPD5 Solute carrier organic anion transporter family member 1B3 hsa04976 NA
4 SLCO2B1 O94956 Solute carrier organic anion transporter family member 2B1 NA NA
5 CYP51A1 Q16850 Lanosterol 14-alpha demethylase hsa00100; hsa01100 3JUS; 3JUV; 3LD6
6 ALB P02768 Serum albumin hsa04918
7 SLCO1A2 P46721 Solute carrier organic anion transporter family member 1A2 hsa04976 NA


20 predicted interactions (targets) of input drug (DB01045): Rifampicin
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
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 28.1%
2 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 26.5%
3 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 24.7%
4 GHR P10912 Growth hormone receptor hsa04060; hsa04080; hsa04151; hsa04630 1A22; 1AXI; 1HWG; 1HWH; 1KF9; 2AEW; 3HHR 22.9%
5 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 21.7%
6 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 21.2%
7 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 20.6%
8 PLAU P00749 Urokinase-type plasminogen activator hsa04064; hsa04610; hsa05202; hsa05205; hsa05206; hsa05215 20.2%
9 TPH1 P17752 Tryptophan 5-hydroxylase 1 hsa00380; hsa00790; hsa01100; hsa04726 1IN9; 1MLW; 3HF6; 3HF8; 3HFB 20.2%
10 CSNK2A1 P68400 Casein kinase II subunit alpha hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169 19.7%
11 ORM1 P02763 Alpha-1-acid glycoprotein 1 NA 3KQ0 19.1%
12 FKBP1A P62942 Peptidyl-prolyl cis-trans isomerase FKBP1A NA 18.5%
13 CXCR4 P61073 C-X-C chemokine receptor type 4 hsa04020; hsa04060; hsa04062; hsa04144; hsa04360; hsa04670; hsa04672; hsa04810; hsa05163; hsa05170; hsa05200 2K03; 2K04; 2K05; 3ODU; 3OE0; 3OE6; 3OE8; 3OE9; 4RWS 18.2%
14 YARS P54577 Tyrosine--tRNA ligase, cytoplasmic hsa00970 1N3L; 1NTG; 1Q11; 4Q93; 4QBT 18.2%
15 TOP2A P11388 DNA topoisomerase 2-alpha hsa01524 1LWZ; 1ZXM; 1ZXN; 4FM9; 4R1F 18.2%
16 CYP11B1 P15538 Cytochrome P450 11B1, mitochondrial hsa00140; hsa01100; hsa04927; hsa04934 NA 18.1%
17 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4 18.1%
18 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 18.0%
19 BCL2L1 Q07817 Bcl-2-like protein 1 hsa01521; hsa01524; hsa04014; hsa04064; hsa04115; hsa04137; hsa04140; hsa04151; hsa04210; hsa04215; hsa04621; hsa04630; hsa05014; hsa05145; hsa05166; hsa05170; hsa05200; hsa05202; hsa05212; hsa05220; hsa05222; hsa05225 17.9%
20 SULT1E1 P49888 Estrogen sulfotransferase hsa00140 1G3M; 1HY3; 4JVL; 4JVM; 4JVN 17.5%


  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.