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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: DB03814
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03814 2-(N-Morpholino)-Ethanesulfonic Acid Thumb


13 known interactions (targets) of input drug (DB03814): 2-(N-Morpholino)-Ethanesulfonic Acid
No. Gene UniProt ID Protein Name Pathway PDB
1 PRDX6 P30041 Peroxiredoxin-6 hsa01100 1PRX
2 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE
3 ASL P04424 Argininosuccinate lyase hsa00220; hsa00250; hsa01100; hsa01230 1AOS; 1K62
4 IRGC Q6NXR0 Interferon-inducible GTPase 5 NA NA
5 B4GALT1 P15291 Beta-1,4-galactosyltransferase 1 hsa00052; hsa00510; hsa00514; hsa00515; hsa00533; hsa00601; hsa01100 2AE7; 2AEC; 2AES; 2AGD; 2AH9; 2FY7; 2FYA; 2FYB; 3EE5; 4EE3; 4EE4; 4EE5; 4EEA; 4EEG; 4EEM; 4EEO; 4L41
6 CMA1 P23946 Chymase hsa04614 1KLT; 1NN6; 1PJP; 1T31; 2HVX; 3N7O; 3S0N; 4AFQ; 4AFS; 4AFU; 4AFZ; 4AG1; 4AG2; 4K2Y; 4K5Z; 4K60; 4K69; 4KP0
7 HSD11B1 P28845 Corticosteroid 11-beta-dehydrogenase isozyme 1 hsa00140; hsa00980; hsa01100; hsa05204
8 ARL3 P36405 ADP-ribosylation factor-like protein 3 NA NA
9 QDPR P09417 Dihydropteridine reductase hsa00790; hsa01100 1HDR
10 GSTP1 P09211 Glutathione S-transferase P hsa00480; hsa00980; hsa00982; hsa00983; hsa01524; hsa05200; hsa05204; hsa05215; hsa05225; hsa05418
11 BCHE P06276 Cholinesterase NA
12 SFTPA1 Q8IWL2 Pulmonary surfactant-associated protein A1 hsa04145; hsa05133 NA
13 L3MBTL1 Q9Y468 Lethal(3)malignant brain tumor-like protein 1 NA 1OYX; 1OZ2; 1OZ3; 2PQW; 2RHI; 2RHU; 2RHX; 2RHY; 2RHZ; 2RI2; 2RI3; 2RI5; 2RJC; 2RJD; 2RJE; 2RJF; 3OQ5; 3P8H; 3UWN


20 predicted interactions (targets) of input drug (DB03814): 2-(N-Morpholino)-Ethanesulfonic Acid
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 REN P00797 Renin hsa04614; hsa04924 31.7%
2 GPI P06744 Glucose-6-phosphate isomerase hsa00010; hsa00030; hsa00500; hsa00520; hsa01100; hsa01200 1IAT; 1IRI; 1JIQ; 1JLH; 1NUH 30.8%
3 PRSS2 P07478 Trypsin-2 hsa04080; hsa04972; hsa04974; hsa05164 NA 30.0%
4 VDR P11473 Vitamin D3 receptor hsa04928; hsa04961; hsa04978; hsa05152 28.8%
5 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 28.3%
6 PRSS1 P07477 Trypsin-1 hsa04080; hsa04972; hsa04974; hsa05164 1FXY; 1TRN; 2RA3; 4WWY; 4WXV 28.2%
7 EFTUD1 Q7Z2Z2 Elongation factor Tu GTP-binding domain-containing protein 1 hsa03008 5ANB; 5ANC 27.6%
8 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 27.5%
9 PLD2 O14939 Phospholipase D2 hsa00564; hsa00565; hsa01100; hsa04014; hsa04024; hsa04071; hsa04072; hsa04144; hsa04666; hsa04724; hsa04912; hsa04928; hsa05231 NA 24.5%
10 EEF1A1 P68104 Elongation factor 1-alpha 1 hsa03013; hsa05134 1SYW; 3C5J 24.2%
11 ABCC5 O15440 Multidrug resistance-associated protein 5 hsa01523; hsa02010 NA 23.8%
12 PYGM P11217 Glycogen phosphorylase, muscle form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1Z8D 23.7%
13 ATP1A1 P05023 Sodium/potassium-transporting ATPase subunit alpha-1 hsa04022; hsa04024; hsa04260; hsa04261; hsa04911; hsa04918; hsa04919; hsa04925; hsa04960; hsa04961; hsa04964; hsa04970; hsa04971; hsa04972; hsa04973; hsa04974; hsa04976; hsa04978 NA 23.7%
14 MC1R Q01726 Melanocyte-stimulating hormone receptor hsa04080; hsa04916 NA 23.2%
15 CDC42 P60953 Cell division control protein 42 homolog hsa04010; hsa04014; hsa04015; hsa04062; hsa04144; hsa04360; hsa04370; hsa04510; hsa04520; hsa04530; hsa04660; hsa04666; hsa04670; hsa04722; hsa04810; hsa04912; hsa04932; hsa04933; hsa05100; hsa05120; hsa05130; hsa05131; hsa05132; hsa05165; hsa05200; hsa05203; hsa05205; hsa05211; hsa05212 23.0%
16 PKM P14618 Pyruvate kinase PKM hsa00010; hsa00230; hsa00620; hsa01100; hsa01200; hsa01230; hsa04922; hsa04930; hsa05165; hsa05203; hsa05230 22.6%
17 PRDX1 Q06830 Peroxiredoxin-1 hsa04146 2RII; 3HY2 22.5%
18 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 22.2%
19 KRT8 P05787 Keratin, type II cytoskeletal 8 NA NA 22.2%
20 AKR1C3 P42330 Aldo-keto reductase family 1 member C3 hsa00140; hsa00590; hsa00790; hsa01100; hsa04913 22.0%


  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.