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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: DB00603
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00603 Medroxyprogesterone acetate Thumb


2 known interactions (targets) of input drug (DB00603): Medroxyprogesterone acetate
No. Gene UniProt ID Protein Name Pathway PDB
1 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR
2 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224


20 predicted interactions (targets) of input drug (DB00603): Medroxyprogesterone acetate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 47.9%
2 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 42.0%
3 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 35.1%
4 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 29.3%
5 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 26.4%
6 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 23.2%
7 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 20.0%
8 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 19.2%
9 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 19.1%
10 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 18.6%
11 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%
12 GLRA1 P23415 Glycine receptor subunit alpha-1 hsa04080 1MOT; 1VRY; 2M6B; 2M6I; 4X5T 17.5%
13 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH 15.5%
14 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 15.2%
15 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 14.7%
16 GLRB P48167 Glycine receptor subunit beta hsa04080 NA 14.6%
17 GABRR1 P24046 Gamma-aminobutyric acid receptor subunit rho-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 13.8%
18 RHO P08100 Rhodopsin hsa04744 4ZWJ 13.8%
19 IGHG1 P01857 Ig gamma-1 chain C region NA
1AJ7; 1AQK; 1BEY; 1D5B; 1D5I; 1D6V; 1DFB; 1DN2; 1E4K; 1FC1; 1FC2; 1FCC; 1GAF; 1H3T; 1H3U; 1H3V; 1H3W; 1H3X; 1H3Y; 1HKL; 1HZH; 1I7Z; 1L6X; 1N7M; 1OP3; 1OQO; 1OQX; 1T83; 1T89; 1VGE; 2DTS; 2GJ7; 2I5Y; 2IWG; 2J6E; 2JB5; 2JB6; 2O5X; 2O5Y; 2O5Z; 2OSL; 2QAD; 2QL1; 2QQK; 2QQL; 2QQN; 2QR0; 2R56; 2RCJ; 2RCS; 2VXQ; 2WAH; 3AGV; 3AVE; 3AY4; 3B2U; 3B2V; 3BDY; 3BE1; 3BKY; 3BN9; 3BQU; 3C08; 3C09; 3C2S; 3CFJ; 3CFK; 3CSY; 3D0L; 3D0V; 3D6G; 3D85; 3DJ9; 3DNK; 3DO3; 3DRO; 3DRQ; 3DVG; 3DVN; 3EYF; 3EYO; 3EYQ; 3FJT; 3O11; 3RY6; 3S7G; 3SGJ; 3SGK; 3TV3; 3TWC; 3TYG; 3U0W; 3U7W; 3U7Y; 3V7M; 3V8C; 3V95; 3WJJ; 3WJL; 3WKN; 3WN5; 4ACP; 4B7I; 4BM7; 4BSV; 4BSW; 4BYH; 4CDH; 4D9Q; 4D9R; 4DAG; 4DZ8; 4EOW; 4J12; 4KU1; 4LLD; 4LLM; 4LLQ; 4N0U; 4NQS; 4NQT; 4NQU; 4NWT; 4NWU; 4O4Y; 4O51; 4Q6Y; 4Q74; 4Q7D; 4W4N; 4W4O; 4WI2; 4WI3; 4WI4; 4WI5; 4WI6; 4WI7; 4WI8; 4WI9; 4X4M; 4X98; 4X99; 4ZNE; 5BW7
 13.5%
20 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 13.4%


  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.