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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: DB00155
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00155 L-Citrulline Thumb


13 known interactions (targets) of input drug (DB00155): L-Citrulline
No. Gene UniProt ID Protein Name Pathway PDB
1 OTC P00480 Ornithine carbamoyltransferase, mitochondrial hsa00220; hsa01100; hsa01230 1C9Y; 1EP9; 1FVO; 1OTH
2 NOS1 P29475 Nitric oxide synthase, brain hsa00220; hsa00330; hsa01100; hsa04020; hsa04145; hsa04371; hsa04713; hsa04730; hsa04926; hsa04970; hsa05010; hsa05014 4D1N; 4UCH; 4UH5; 4UH6; 4V3U; 5ADF; 5ADG; 5ADI
3 ASS Q5T6L4 Argininosuccinate synthetase, isoform CRA_a hsa00220; hsa00250; hsa01100; hsa01230; hsa05418 NA
4 DDAH1 O94760 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 NA 2JAI; 2JAJ; 3I2E; 3I4A; 3P8E; 3P8P
5 PADI3 Q9ULW8 Protein-arginine deiminase type-3 NA NA
6 PADI1 Q9ULC6 Protein-arginine deiminase type-1 NA NA
7 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
8 DDAH2 O95865 N(G),N(G)-dimethylarginine dimethylaminohydrolase 2 NA NA
9 ASS1 P00966 Argininosuccinate synthase hsa00220; hsa00250; hsa01100; hsa01230; hsa05418 2NZ2
10 PADI2 Q9Y2J8 Protein-arginine deiminase type-2 NA 4N20; 4N22; 4N24; 4N25; 4N26; 4N28; 4N2A; 4N2B; 4N2C; 4N2D; 4N2E; 4N2F; 4N2G; 4N2H; 4N2I; 4N2K; 4N2L; 4N2M; 4N2N
11 PADI6 Q6TGC4 Protein-arginine deiminase type-6 NA 4DAT; 4DAU
12 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
13 PADI4 Q9UM07 Protein-arginine deiminase type-4 NA 1WD8; 1WD9; 1WDA; 2DEW; 2DEX; 2DEY; 2DW5; 3APM; 3APN; 3B1T; 3B1U; 4DKT; 4X8C; 4X8G


20 predicted interactions (targets) of input drug (DB00155): L-Citrulline
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PRSS1 P07477 Trypsin-1 hsa04080; hsa04972; hsa04974; hsa05164 1FXY; 1TRN; 2RA3; 4WWY; 4WXV 44.7%
2 PLAU P00749 Urokinase-type plasminogen activator hsa04064; hsa04610; hsa05202; hsa05205; hsa05206; hsa05215 38.0%
3 NQO2 P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] NA 29.1%
4 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 28.4%
5 DPP4 P27487 Dipeptidyl peptidase 4 hsa04974 24.5%
6 PNP P00491 Purine nucleoside phosphorylase hsa00230; hsa00240; hsa00760; hsa01100 24.5%
7 CACNA1A O00555 Voltage-dependent P/Q-type calcium channel subunit alpha-1A hsa04010; hsa04020; hsa04721; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04730; hsa04742; hsa04930; hsa05032; hsa05033 3BXK 24.1%
8 TP53 P04637 Cellular tumor antigen p53 hsa01522; hsa01524; hsa04010; hsa04071; hsa04110; hsa04115; hsa04137; hsa04151; hsa04210; hsa04211; hsa04216; hsa04218; hsa04310; hsa04722; hsa04919; hsa05014; hsa05016; hsa05160; hsa05161; hsa05162; hsa05163; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05200; hsa05202; hsa05203; hsa05205; hsa05206; hsa05210; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05217; hsa05218; hsa05219; hsa05220; hsa05222; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05418 23.8%
9 MAPK10 P53779 Mitogen-activated protein kinase 10 hsa01522; hsa04010; hsa04012; hsa04014; hsa04024; hsa04068; hsa04071; hsa04137; hsa04140; hsa04141; hsa04210; hsa04215; hsa04217; hsa04310; hsa04380; hsa04510; hsa04530; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04664; hsa04668; hsa04722; hsa04723; hsa04728; hsa04750; hsa04910; hsa04912; hsa04914; hsa04917; hsa04920; hsa04926; hsa04930; hsa04931; hsa04932; hsa04933; hsa05120; hsa05131; hsa05132; hsa05133; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05164; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05210; hsa05212; hsa05231; hsa05418 23.6%
10 CACNB2 Q08289 Voltage-dependent L-type calcium channel subunit beta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 22.3%
11 ACY3 Q96HD9 N-acyl-aromatic-L-amino acid amidohydrolase (carboxylate-forming) NA NA 22.2%
12 A2M P01023 Alpha-2-macroglobulin hsa04610 1BV8; 2P9R; 4ACQ 22.1%
13 ASPA P45381 Aspartoacylase hsa00250; hsa00340; hsa01100 2I3C; 2O4H; 2O53; 2Q51; 4MRI; 4MXU; 4NFR; 4TNU 22.1%
14 MBL2 P11226 Mannose-binding protein C hsa04145; hsa04610; hsa05150 1HUP 22.0%
15 MPO P05164 Myeloperoxidase hsa00983; hsa04145; hsa05202; hsa05221 1CXP; 1D2V; 1D5L; 1D7W; 1DNU; 1DNW; 1MHL; 1MYP; 3F9P; 3ZS0; 3ZS1; 4C1M; 4DL1; 4EJX; 5FIW 21.4%
16 CYTH2 Q99418 Cytohesin-2 hsa04072; hsa04144 1PBV; 1R8M; 1R8Q; 1R8S; 1S9D; 4JMI; 4JMO; 4JWL; 4JXH; 4L5M 21.3%
17 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 21.1%
18 MMP20 O60882 Matrix metalloproteinase-20 NA 2JSD 21.1%
19 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032 21.0%
20 PARP3 Q9Y6F1 Poly [ADP-ribose] polymerase 3 hsa03410; hsa04210; hsa04217 2EOC; 3C49; 3C4H; 3CE0; 3FHB; 4GV0; 4GV2; 4GV4; 4L6Z; 4L70; 4L7L; 4L7N; 4L7O; 4L7P; 4L7R; 4L7U 21.0%


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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.