Ligand ID: GAI


Drugbank ID:
DB00536
(Guanidine)



Indication:
For the reduction of the symptoms of muscle weakness and easy fatigability associated with the myasthenic syndrome of Eaton-Lambert. It is not indicated for treating myasthenia gravis.


Get human targets for GAI in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'GAI' AND SARS-COV-2 / COVID-19 STRUCTURES

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.


DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
View Interface RMSD Seq.
Identity (%)
HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.36A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.37A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.37A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.34A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6lu7 MAIN PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.35A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6lze VIRAL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.54A22.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6lze VIRAL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.56A22.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6lze VIRAL PROTEASE
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.53A22.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
6lze VIRAL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.55A22.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6m0k VIRAL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.54A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
6m0k VIRAL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.55A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6m0k VIRAL PROTEASE
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.53A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6m0k VIRAL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.55A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ARG C 131
GLU C 288
LEU C 286
ASP C 289
1.80A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ASP B 289
ARG B 131
GLU B 288
LEU B 286
1.42A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.53A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.54A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.56A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ASP C 289
ARG C 131
GLU C 288
LEU C 286
1.80A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.55A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ARG B 131
GLU B 288
LEU B 286
ASP B 289
1.45A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ARG B 131
GLU B 288
LEU B 286
ASP B 289
1.44A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6m2n 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ARG B 131
GLU B 288
LEU B 286
ASP B 289
1.44A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6m2q 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.35A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
6m2q 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.35A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6m2q 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.34A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6m2q 3CL PROTEASE
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.33A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.59A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.60A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.61A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.58A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.68A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.69A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.66A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.69A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.57A18.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.58A18.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.55A18.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.54A18.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.43A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.40A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.43A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.42A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.39A22.36
None
None
PEG  A 404 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.38A22.36
None
None
PEG  A 404 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.38A22.36
None
None
PEG  A 404 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.36A22.36
None
None
None
PEG  A 404 ( 3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
7bqy MAIN PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.58A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
7bqy MAIN PROTEASE
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.56A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
7bqy MAIN PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.59A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
7bqy MAIN PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.57A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
4 / 6
ASP A 289
ARG A 131
GLU A 288
LEU A 286
1.52A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.55A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.53A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))
7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)
4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.55A22.36
None