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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: DB01656
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB01656 Roflumilast Thumb


4 known interactions (targets) of input drug (DB01656): Roflumilast
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE4C Q08493 cAMP-specific 3',5'-cyclic phosphodiesterase 4C hsa00230; hsa04024; hsa04928; hsa05032 1LXU; 2QYM
2 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032
3 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX
4 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032


20 predicted interactions (targets) of input drug (DB01656): Roflumilast
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDE7B Q9NP56 cAMP-specific 3',5'-cyclic phosphodiesterase 7B hsa00230; hsa05032 1LXW 30.4%
2 ADORA2A P29274 Adenosine receptor A2a hsa04015; hsa04020; hsa04024; hsa04080; hsa04270; hsa05012; hsa05034 1MMH; 1UPE; 2YDO; 2YDV; 3EML; 3PWH; 3QAK; 3REY; 3RFM; 3UZA; 3UZC; 3VG9; 3VGA; 4EIY; 4UG2; 4UHR 29.9%
3 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC 28.7%
4 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 27.7%
5 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 26.9%
6 PDE7A Q13946 High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A hsa00230; hsa05032 1ZKL; 3G3N; 4PM0; 4Y2B 25.5%
7 PDE2A O00408 cGMP-dependent 3',5'-cyclic phosphodiesterase hsa00230; hsa04022; hsa04740; hsa04925; hsa05032 1Z1L; 3IBJ; 3ITM; 3ITU; 4C1I; 4D08; 4D09; 4HTX; 4HTZ; 4JIB 25.2%
8 PDE10A Q9Y233 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A hsa00230; hsa05032 22.0%
9 PTGDR2 Q9Y5Y4 Prostaglandin D2 receptor 2 NA NA 21.9%
10 PDE8A O60658 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A hsa00230; hsa04927; hsa04934; hsa05032 1LHQ; 1LXX; 3ECM; 3ECN 21.6%
11 PDE6A P16499 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha hsa00230; hsa04744 NA 21.0%
12 PDE6C P51160 Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' hsa00230 3JWQ; 3JWR; 5E8F 20.8%
13 PLAT P00750 Tissue-type plasminogen activator hsa04371; hsa04610; hsa05202; hsa05215; hsa05418 1A5H; 1BDA; 1PK2; 1PML; 1RTF; 1TPG; 1TPK; 1TPM; 1TPN; 5BRR 20.8%
14 PDE1C Q14123 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXS 20.2%
15 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 20.2%
16 PDE3B Q13370 cGMP-inhibited 3',5'-cyclic phosphodiesterase B hsa00230; hsa04022; hsa04024; hsa04371; hsa04910; hsa04914; hsa04922; hsa04923; hsa04924; hsa05032 1SO2; 1SOJ 18.4%
17 PDE9A O76083 High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A hsa00230 18.0%
18 BCHE P06276 Cholinesterase NA 17.7%
19 PRKACA P17612 cAMP-dependent protein kinase catalytic subunit alpha hsa01522; hsa04010; hsa04014; hsa04020; hsa04024; hsa04062; hsa04114; hsa04140; hsa04211; hsa04213; hsa04261; hsa04270; hsa04310; hsa04340; hsa04371; hsa04530; hsa04540; hsa04611; hsa04713; hsa04714; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04740; hsa04742; hsa04750; hsa04910; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04919; hsa04921; hsa04922; hsa04923; hsa04924; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04961; hsa04962; hsa04970; hsa04971; hsa04976; hsa05012; hsa05020; hsa05030; hsa05031; hsa05032; hsa05034; hsa05110; hsa05146; hsa05163; hsa05165; hsa05166; hsa05169; hsa05200; hsa05203; hsa05205; hsa05414 17.3%
20 PDE6B P35913 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit beta hsa00230; hsa04744 NA 17.1%


  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.