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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: DB03953
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03953 L-Thiocitrulline Thumb


1 known interactions (targets) of input drug (DB03953): L-Thiocitrulline
No. Gene UniProt ID Protein Name Pathway PDB
1 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


14 predicted interactions (targets) of input drug (DB03953): L-Thiocitrulline
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 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 24.5%
2 ASS1 P00966 Argininosuccinate synthase hsa00220; hsa00250; hsa01100; hsa01230; hsa05418 2NZ2 14.9%
3 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 14.7%
4 CACNA1C Q13936 Voltage-dependent L-type calcium channel subunit alpha-1C hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04742; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 1T0J; 2BE6; 2F3Y; 2F3Z; 2LQC; 3G43; 3OXQ 13.4%
5 LYZ P61626 Lysozyme C hsa04970
133L; 134L; 1B5U; 1B5V; 1B5W; 1B5X; 1B5Y; 1B5Z; 1B7L; 1B7M; 1B7N; 1B7O; 1B7P; 1B7Q; 1B7R; 1B7S; 1BB3; 1BB4; 1BB5; 1C43; 1C45; 1C46; 1C7P; 1CJ6; 1CJ7; 1CJ8; 1CJ9; 1CKC; 1CKD; 1CKF; 1CKG; 1CKH; 1D6P; 1D6Q; 1DI3; 1DI4; 1DI5; 1EQ4; 1EQ5; 1EQE; 1GAY; 1GAZ; 1GB0; 1GB2; 1GB3; 1GB5; 1GB6; 1GB7; 1GB8; 1GB9; 1GBO; 1GBW; 1GBX; 1GBY; 1GBZ; 1GDW; 1GDX; 1GE0; 1GE1; 1GE2; 1GE3; 1GE4; 1GEV; 1GEZ; 1GF0; 1GF3; 1GF4; 1GF5; 1GF6; 1GF7; 1GF8; 1GF9; 1GFA; 1GFE; 1GFG; 1GFH; 1GFJ; 1GFK; 1GFR; 1GFT; 1GFU; 1GFV; 1HNL; 1I1Z; 1I20; 1I22; 1INU; 1IOC; 1IP1; 1IP2; 1IP3; 1IP4; 1IP5; 1IP6; 1IP7; 1IWT; 1IWU; 1IWV; 1IWW; 1IWX; 1IWY; 1IWZ; 1IX0; 1IY3; 1IY4; 1JKA; 1JKB; 1JKC; 1JKD; 1JSF; 1JWR; 1LAA; 1LHH; 1LHI; 1LHJ; 1LHK; 1LHL; 1LHM; 1LMT; 1LOZ; 1LYY; 1LZ1; 1LZ4; 1LZ5; 1LZ6; 1LZR; 1LZS; 1OP9; 1OUA; 1OUB; 1OUC; 1OUD; 1OUE; 1OUF; 1OUG; 1OUH; 1OUI; 1OUJ; 1QSW; 1RE2; 1REM; 1REX; 1REY; 1REZ; 1TAY; 1TBY; 1TCY; 1TDY; 1UBZ; 1W08; 1WQM; 1WQN; 1WQO; 1WQP; 1WQQ; 1WQR; 1YAM; 1YAN; 1YAO; 1YAP; 1YAQ; 207L; 208L; 2BQA; 2BQB; 2BQC; 2BQD; 2BQE; 2BQF; 2BQG; 2BQH; 2BQI; 2BQJ; 2BQK; 2BQL; 2BQM; 2BQN; 2BQO; 2HEA; 2HEB; 2HEC; 2HED; 2HEE; 2HEF; 2LHM; 2MEA; 2MEB; 2MEC; 2MED; 2MEE; 2MEF; 2MEG; 2MEH; 2MEI; 2NWD; 2ZIJ; 2ZIK; 2ZIL; 2ZWB; 3EBA; 3FE0; 3LHM; 3LN2; 4I0C; 4ML7; 4R0P
 12.7%
6 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 12.2%
7 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 11.7%
8 GRIA2 P42262 Glutamate receptor 2 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05030; hsa05031; hsa05033 2WJW; 2WJX; 2XHD; 3R7X; 3RN8; 3RNN; 3UA8 11.5%
9 COMT P21964 Catechol O-methyltransferase hsa00140; hsa00350; hsa01100; hsa04728 3A7E; 3BWM; 3BWY; 4PYI; 4PYJ; 4PYK; 4XUC; 4XUD; 4XUE 11.1%
10 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 10.8%
11 TLR4 O00206 Toll-like receptor 4 hsa04064; hsa04066; hsa04145; hsa04151; hsa04217; hsa04620; hsa04621; hsa05130; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05144; hsa05145; hsa05146; hsa05152; hsa05161; hsa05162; hsa05164; hsa05170; hsa05205; hsa05321; hsa05323 2Z62; 2Z63; 2Z65; 2Z66; 3FXI; 3UL7; 3UL8; 3UL9; 3ULA; 4G8A 10.8%
12 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 10.7%
13 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 10.3%
14 LY96 Q9Y6Y9 Lymphocyte antigen 96 hsa04064; hsa04620; hsa05130; hsa05133; hsa05145 1T2Z; 2E56; 2E59; 2Z65; 3FXI; 3ULA; 4G8A 10.1%


  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.