QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P07477
No. Gene UniProt ID Protein Name Pathway PDB
1 PRSS1 P07477 Trypsin-1 hsa04080; hsa04972; hsa04974; hsa05164 1FXY; 1TRN; 2RA3; 4WWY; 4WXV


99 known interactions (drugs) of input target (PRSS1): Trypsin-1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03243 4-Fluorobenzylamine Thumb
2 Experimental SmallMoleculeDrug DB04269 Cyclotheonamide A Thumb
3 Experimental SmallMoleculeDrug DB08420 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID Thumb
4 Experimental SmallMoleculeDrug DB03608 Diminazene Thumb
5 Experimental SmallMoleculeDrug DB08254 2-NAPHTHALENESULFONIC ACID Thumb
6 Experimental SmallMoleculeDrug DB07095 (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide Thumb
7 Experimental SmallMoleculeDrug DB04654 4-PIPERIDIN-4-YLBUTANAL Thumb
8 Experimental SmallMoleculeDrug DB04442 2-(2-Oxo-1,2-Dihydro-Pyridin-3-Yl)-1h-Benzoimidazole-5-Carboxamidine Thumb
9 Experimental SmallMoleculeDrug DB03136 4-Iodobenzo[B]Thiophene-2-Carboxamidine Thumb
10 Experimental SmallMoleculeDrug DB03976 Phosphorylisopropane Thumb
11 Experimental SmallMoleculeDrug DB01745 N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester Thumb
12 Experimental SmallMoleculeDrug DB02875 CRA_1802 Thumb
13 Experimental SmallMoleculeDrug DB03173 CRA_10433 Thumb
14 Experimental SmallMoleculeDrug DB06850 (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide Thumb
15 Experimental SmallMoleculeDrug DB03251 RWJ-51084 Thumb
16 Experimental SmallMoleculeDrug DB04563 CRA_9678 Thumb
17 Experimental SmallMoleculeDrug DB07491 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid Thumb
18 Experimental SmallMoleculeDrug DB02112 Zk-806450 Thumb
19 Experimental SmallMoleculeDrug DB06853 N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide Thumb
20 Experimental SmallMoleculeDrug DB02288 CRA_9334 Thumb
21 Experimental SmallMoleculeDrug DB07985 +/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE Thumb
22 Experimental SmallMoleculeDrug DB02526 CRA_10655 Thumb
23 Experimental SmallMoleculeDrug DB02989 CRA_10972 Thumb
24 Experimental SmallMoleculeDrug DB04410 3-Phenylpropylamine Thumb
25 Experimental SmallMoleculeDrug DB04238 N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid Thumb
26 Experimental SmallMoleculeDrug DB01705 Bis(5-Amidino-Benzimidazolyl)Methane Thumb
27 Experimental SmallMoleculeDrug DB03443 Bis(5-Amidino-Benzimidazolyl)Methanone Zinc Thumb
28 Experimental SmallMoleculeDrug DB04246 CRA_23653 Thumb
29 Experimental SmallMoleculeDrug DB04301 Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate Thumb
30 Experimental SmallMoleculeDrug DB02287 2-(2-Hydroxy-Phenyl)-3h-Benzoimidazole-5-Carboxamidine Thumb
31 Experimental SmallMoleculeDrug DB07368 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE Thumb
32 Experimental SmallMoleculeDrug DB01836 [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone Thumb
33 Experimental SmallMoleculeDrug DB01725 2-{2-hydroxy-[1,1'-biphenyl]-3-yl}-1H-1,3-benzodiazole-5-carboximidamide Thumb
34 Experimental SmallMoleculeDrug DB08184 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE Thumb
35 Experimental SmallMoleculeDrug DB04424 RPR128515 Thumb
36 Experimental SmallMoleculeDrug DB06855 6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine Thumb
37 Experimental SmallMoleculeDrug DB06918 2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE Thumb
38 Experimental SmallMoleculeDrug DB03373 ZK-806711 Thumb
39 Experimental SmallMoleculeDrug DB04446 Benzo[B]Thiophene-2-Carboxamidine Thumb
40 Experimental SmallMoleculeDrug DB04125 N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine Thumb
41 Experimental SmallMoleculeDrug DB07229 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE Thumb
42 Experimental SmallMoleculeDrug DB03555 CRA_11092 Thumb
43 Experimental SmallMoleculeDrug DB03081 Crc200 (Chiron-Behring) Thumb
44 Experimental SmallMoleculeDrug DB03016 CRA_1801 Thumb
45 Experimental SmallMoleculeDrug DB02081 Bis-Benzamidine Thumb
46 Experimental SmallMoleculeDrug DB04008 Bis(5-Amidino-Benzimidazolyl)Methane Zinc Thumb
47 Experimental SmallMoleculeDrug DB03417 1-(4-Tert-Butylcarbamoyl-Piperazine-1-Carbonyl)-3-(3-Guanidino-Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid Thumb
48 Experimental SmallMoleculeDrug DB04325 Phenethylamine Thumb
49 Experimental SmallMoleculeDrug DB03337 1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea Thumb
50 Experimental SmallMoleculeDrug DB01805 Monoisopropylphosphorylserine Thumb
51 Experimental SmallMoleculeDrug DB02665 (1R,2S)-2-Phenylcyclopropanaminium Thumb
52 Experimental SmallMoleculeDrug DB02744 RPR131247 Thumb
53 Experimental SmallMoleculeDrug DB02045 Amylamine Thumb
54 Experimental SmallMoleculeDrug DB03374 3,5-Diiodotyrosine Thumb
55 Experimental SmallMoleculeDrug DB02084 CRA_17312 Thumb
56 Experimental SmallMoleculeDrug DB01939 5-Amidino-Benzimidazole Thumb
57 Experimental SmallMoleculeDrug DB06840 diethyl [(1R)-1,5-diaminopentyl]boronate Thumb
58 Experimental SmallMoleculeDrug DB06923 2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE Thumb
59 Experimental SmallMoleculeDrug DB07131 (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide Thumb
60 Experimental SmallMoleculeDrug DB04391 Aeruginosin 98-B Thumb
61 Experimental SmallMoleculeDrug DB03127 Benzamidine Thumb
62 Experimental SmallMoleculeDrug DB04790 2,5-bis-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol Thumb
63 Experimental SmallMoleculeDrug DB01876 Bis(5-Amidino-2-Benzimidazolyl)Methanone Thumb
64 Experimental SmallMoleculeDrug DB02063 CRA_16847 Thumb
65 Experimental SmallMoleculeDrug DB03865 6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine Thumb
66 Experimental SmallMoleculeDrug DB01767 Hemi-Babim Thumb
67 Experimental SmallMoleculeDrug DB04215 CRA_9076 Thumb
68 Experimental SmallMoleculeDrug DB02269 [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium Thumb
69 Experimental SmallMoleculeDrug DB04470 CRA_10656 Thumb
70 Experimental SmallMoleculeDrug DB06845 (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide Thumb
71 Experimental SmallMoleculeDrug DB03876 Thieno[2,3-B]Pyridine-2-Carboxamidine Thumb
72 Experimental SmallMoleculeDrug DB06858 N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide Thumb
73 Experimental SmallMoleculeDrug DB02463 2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine Thumb
74 Experimental SmallMoleculeDrug DB01771 CRA_10991 Thumb
75 Approved;
Investigational		 SmallMoleculeDrug DB12598 Nafamostat Thumb
76 Approved;
Investigational;
Withdrawn		 BiotechDrug DB06692 Aprotinin Thumb
77 Experimental SmallMoleculeDrug DB04792 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL Thumb
78 Experimental SmallMoleculeDrug DB04336 1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea Thumb
79 Experimental SmallMoleculeDrug DB04311 4-Phenylbutylamine Thumb
80 Experimental SmallMoleculeDrug DB08763 [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE Thumb
81 Experimental SmallMoleculeDrug DB07088 (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide Thumb
82 Experimental SmallMoleculeDrug DB04791 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL Thumb
83 Experimental SmallMoleculeDrug DB02812 (2s,4r)-1-Acetyl-N-[(1s)-4-[(Aminoiminomethyl)Amino]-1-(2-Benzothiazolylcarbonyl)Butyl]-4-Hydroxy-2-Pyrrolidinecarboxamide Thumb
84 Experimental SmallMoleculeDrug DB03213 Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Thumb
85 Experimental SmallMoleculeDrug DB01737 Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester Thumb
86 Experimental SmallMoleculeDrug DB02354 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine Thumb
87 Experimental SmallMoleculeDrug DB03159 CRA_8696 Thumb
88 Experimental SmallMoleculeDrug DB03643 CRA_1144 Thumb
89 Experimental SmallMoleculeDrug DB02464 Benzylamine Thumb
90 Experimental SmallMoleculeDrug DB07091 (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide Thumb
91 Experimental SmallMoleculeDrug DB04793 1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol Thumb
92 Experimental SmallMoleculeDrug DB02435 Aminomethylcyclohexane Thumb
93 Experimental SmallMoleculeDrug DB01905 2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine Thumb
94 Experimental SmallMoleculeDrug DB03595 CRA_9785 Thumb
95 Experimental SmallMoleculeDrug DB04432 ZK-805623 Thumb
96 Experimental SmallMoleculeDrug DB04107 [(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester Thumb
97 Experimental SmallMoleculeDrug DB01741 CRA_17693 Thumb
98 Experimental SmallMoleculeDrug DB02366 CRA_10762 Thumb
99 Experimental SmallMoleculeDrug DB01665 ZK-800270 Thumb


20 predicted interactions (drugs) of input target (PRSS1): Trypsin-1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00155 L-Citrulline Thumb 44.7%
2 Experimental SmallMoleculeDrug DB01973 O-Benzylsulfonyl-Serine Thumb 42.9%
3 Experimental SmallMoleculeDrug DB02449 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid Thumb 37.8%
4 Approved;
Withdrawn		 SmallMoleculeDrug DB00409 Remoxipride Thumb 35.3%
5 Approved SmallMoleculeDrug DB00198 Oseltamivir Thumb 33.0%
6 Experimental SmallMoleculeDrug DB08342 S-PALMITOYL-L-CYSTEINE Thumb 32.5%
7 Approved;
Investigational		 SmallMoleculeDrug DB00206 Reserpine Thumb 31.5%
8 Approved;
Nutraceutical		 SmallMoleculeDrug DB00142 Glutamic Acid Thumb 30.8%
9 Investigational SmallMoleculeDrug DB06174 Noscapine Thumb 30.6%
10 Approved;
Illicit;
Investigational		 SmallMoleculeDrug DB00497 Oxycodone Thumb 30.5%
11 Experimental;
Investigational		 SmallMoleculeDrug DB01873 Epothilone D Thumb 29.9%
12 Experimental SmallMoleculeDrug DB02726 2-Phosphoglycolic Acid Thumb 29.7%
13 Experimental SmallMoleculeDrug DB03600 Capric acid Thumb 29.6%
14 Investigational SmallMoleculeDrug DB05476 WX-UK1 Thumb 29.0%
15 Approved;
Investigational		 SmallMoleculeDrug DB00640 Adenosine Thumb 28.8%
16 Experimental SmallMoleculeDrug DB09207 AS-8112 Thumb 28.4%
17 Investigational SmallMoleculeDrug DB05147 CYT997 Thumb 28.3%
18 Experimental SmallMoleculeDrug DB03814 2-(N-Morpholino)-Ethanesulfonic Acid Thumb 28.2%
19 Approved BiotechDrug DB00029 Anistreplase Thumb 28.1%
20 Experimental SmallMoleculeDrug DB07692 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine Thumb 28.1%


  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.