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: DB01234
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB01234 Dexamethasone Thumb


5 known interactions (targets) of input drug (DB01234): Dexamethasone
No. Gene UniProt ID Protein Name Pathway PDB
1 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA
2 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
3 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 4UDC; 1P93; 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X
4 NR0B1 P51843 Nuclear receptor subfamily 0 group B member 1 hsa04927 4RWV
5 ANXA1 P04083 Annexin A1 NA 1AIN; 1BO9; 1QLS


20 predicted interactions (targets) of input drug (DB01234): Dexamethasone
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 44.6%
2 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 25.8%
3 NOS1 P29475 Nitric oxide synthase, brain hsa00220; hsa00330; hsa01100; hsa04020; hsa04145; hsa04371; hsa04713; hsa04730; hsa04926; hsa04970; hsa05010; hsa05014 4D1N; 4UCH; 4UH5; 4UH6; 4V3U; 5ADF; 5ADG; 5ADI 25.6%
4 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 25.4%
5 PADI4 Q9UM07 Protein-arginine deiminase type-4 NA 1WD8; 1WD9; 1WDA; 2DEW; 2DEX; 2DEY; 2DW5; 3APM; 3APN; 3B1T; 3B1U; 4DKT; 4X8C; 4X8G 22.3%
6 HSD11B2 P80365 Corticosteroid 11-beta-dehydrogenase isozyme 2 hsa00140; hsa04960 NA 20.9%
7 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 20.9%
8 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 20.0%
9 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 19.0%
10 CDK5R1 Q15078 Cyclin-dependent kinase 5 activator 1 hsa05010; hsa05030 1H4L; 1UNG; 1UNH; 1UNL; 3O0G 18.6%
11 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 18.6%
12 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 18.0%
13 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 17.4%
14 CYP17A1 P05093 Steroid 17-alpha-hydroxylase/17,20 lyase hsa00140; hsa01100; hsa04913; hsa04917; hsa04927; hsa04934 2C17; 3RUK; 3SWZ; 4NKV; 4NKW; 4NKX; 4NKY; 4NKZ 17.4%
15 MAPK14 Q16539 Mitogen-activated protein kinase 14 hsa01522; hsa04010; hsa04015; hsa04068; hsa04071; hsa04218; hsa04261; hsa04370; hsa04380; hsa04550; hsa04611; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04664; hsa04668; hsa04670; hsa04714; hsa04722; hsa04723; hsa04728; hsa04750; hsa04912; hsa04914; hsa04917; hsa04926; hsa04933; hsa05014; hsa05120; hsa05131; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05152; hsa05160; hsa05163; hsa05164; hsa05167; hsa05169; hsa05170; hsa05205; hsa05418
1A9U; 1BL6; 1BL7; 1BMK; 1DI9; 1IAN; 1KV1; 1KV2; 1M7Q; 1OUK; 1OUY; 1OVE; 1OZ1; 1R39; 1R3C; 1W7H; 1W82; 1W83; 1W84; 1WBN; 1WBO; 1WBS; 1WBT; 1WBV; 1WBW; 1WFC; 1YQJ; 1ZYJ; 1ZZ2; 1ZZL; 2BAJ; 2BAK; 2BAL; 2BAQ; 2FSL; 2FSM; 2FSO; 2FST; 2GFS; 2I0H; 2LGC; 2NPQ; 2OKR; 2ONL; 2QD9; 2RG5; 2RG6; 2Y8O; 2YIS; 2YIW; 2YIX; 2ZAZ; 2ZB0; 2ZB1; 3BV2; 3BV3; 3BX5; 3C5U; 3CTQ; 3D7Z; 3D83; 3DS6; 3DT1; 3E92; 3E93; 3FC1; 3FI4; 3FKL; 3FKN; 3FKO; 3FL4; 3FLN; 3FLQ; 3FLS; 3FLW; 3FLY; 3FLZ; 3FMH; 3FMJ; 3FMK; 3FML; 3FMM; 3FMN; 3FSF; 3FSK; 3GC7; 3GCP; 3GCQ; 3GCS; 3GCU; 3GCV; 3GFE; 3GI3; 3HA8; 3HEC; 3HEG; 3HL7; 3HLL; 3HP2; 3HP5; 3HRB; 3HUB; 3HUC; 3HV3; 3HV4; 3HV5; 3HV6; 3HV7; 3HVC; 3IPH; 3ITZ; 3IW5; 3IW6; 3IW7; 3IW8; 3K3I; 3K3J; 3KF7; 3KQ7; 3L8S; 3L8X; 3LFA; 3LFB; 3LFC; 3LFD; 3LFE; 3LFF; 3LHJ; 3MGY; 3MH0; 3MH1; 3MH2; 3MH3; 3MPA; 3MPT; 3MVL; 3MVM; 3MW1; 3NEW; 3NNU; 3NNV; 3NNW; 3NNX; 3NWW; 3O8P; 3O8T; 3O8U; 3OBG; 3OBJ; 3OC1; 3OCG; 3OD6; 3ODY; 3ODZ; 3OEF; 3PG3; 3QUD; 3QUE; 3RIN; 3ROC; 3S3I; 3S4Q; 3U8W; 3UVP; 3UVQ; 3UVR; 3ZS5; 3ZSG; 3ZSH; 3ZSI; 3ZYA; 4A9Y; 4AA0; 4AA4; 4AA5; 4AAC; 4DLI; 4DLJ; 4E5A; 4E5B; 4E6A; 4E6C; 4E8A; 4EH2; 4EH3; 4EH4; 4EH5; 4EH6; 4EH7; 4EH8; 4EH9; 4EHV; 4EWQ; 4F9W; 4F9Y; 4FA2; 4GEO; 4KIN; 4KIP; 4KIQ; 4L8M; 4R3C
 17.2%
16 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 17.0%
17 PCSK1 P29120 Neuroendocrine convertase 1 NA NA 16.8%
18 KLK3 P07288 Prostate-specific antigen hsa05200; hsa05215 1PFA; 2PSA; 2ZCH; 2ZCK; 2ZCL; 3QUM 16.7%
19 SCN1A P35498 Sodium channel protein type 1 subunit alpha hsa04728 NA 16.5%
20 EPOR P19235 Erythropoietin receptor hsa04060; hsa04151; hsa04630; hsa04640; hsa05200 1CN4; 1EBA; 1EBP; 1EER; 1ERN; 2JIX; 2MV6; 4Y5V; 4Y5X; 4Y5Y 16.3%


  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.