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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: DB06884
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB06884 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE Thumb


2 known interactions (targets) of input drug (DB06884): 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE
No. Gene UniProt ID Protein Name Pathway PDB
1 NRIP1 P48552 Nuclear receptor-interacting protein 1 NA 2GPO; 2GPP; 4S14; 4S15
2 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC


20 predicted interactions (targets) of input drug (DB06884): 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 49.6%
2 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 36.9%
3 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 35.2%
4 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 35.0%
5 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 34.5%
6 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA 28.5%
7 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 26.5%
8 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 24.6%
9 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 24.3%
10 HTR1F P30939 5-hydroxytryptamine receptor 1F hsa04024; hsa04080; hsa04726; hsa04742 NA 23.4%
11 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 22.8%
12 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH 22.6%
13 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 22.0%
14 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 21.8%
15 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 21.1%
16 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 20.8%
17 BCHE P06276 Cholinesterase NA 20.3%
18 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 20.3%
19 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 19.5%
20 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 18.1%


  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.