Ligand ID: EDR


Drugbank ID:
DB01010
(Edrophonium)


Indication:
For the differential diagnosis of myasthenia gravis and as an adjunct in the evaluation of treatment requirements in this disease. It may also be used for evaluating emergency treatment in myasthenic crises.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'EDR' 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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.75A13.78
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.77A13.78
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.58A13.78
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.57A13.78
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.71A19.47
ELL  D   3 (-3.6A)
None
None
ELL  D   3 (-3.9A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.74A19.47
ELL  D   3 (-3.6A)
None
None
ELL  D   3 (-3.9A)
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.72A19.05
ELL  D   3 (-3.6A)
DMS  A 403 ( 4.1A)
None
ELL  D   3 (-3.9A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.74A19.05
ELL  D   3 (-3.6A)
DMS  A 403 ( 4.1A)
None
ELL  D   3 (-3.9A)
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A  14
SER A  10
PHE C   8
PHE C 150
1.45A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.71A18.98
3WL  A 401 (-3.3A)
None
None
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY D 124
GLU D  14
SER D  10
PHE B 150
1.24A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR B 118
GLU B 166
SER D   1
HIS B 172
1.55A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY B 143
TYR B 118
PHE B 140
HIS B 163
1.73A18.98
3WL  B 401 (-3.4A)
None
None
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
TYR B 118
GLU B 166
SER D   1
HIS B 172
1.63A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY C 124
GLU C  14
SER C  10
PHE A 150
1.27A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 124
GLU A  14
SER A  10
PHE C 150
1.21A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU D  14
SER D  10
PHE B   8
PHE B 150
1.45A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE D 150
1.31A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY C 124
GLU C  14
SER C  10
PHE A 150
1.39A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY D 138
TYR D 126
GLU D 166
HIS D 163
1.66A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY C 143
TYR C 118
PHE C 140
HIS C 163
1.77A18.98
3WL  C 401 (-3.4A)
None
None
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY D 143
TYR D 118
PHE D 140
HIS D 163
1.74A18.98
3WL  D 401 (-3.4A)
None
None
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY B 143
TYR B 118
PHE B 140
HIS B 163
1.75A18.98
3WL  B 401 (-3.4A)
None
None
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY D 143
TYR D 118
PHE D 140
HIS D 163
1.71A18.98
3WL  D 401 (-3.4A)
None
None
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 118
GLU A 166
SER C   1
HIS A 172
1.61A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
TYR A 118
GLU A 166
SER C   1
HIS A 172
1.70A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU C  14
SER C  10
PHE A   8
PHE A 150
1.53A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY D 138
TYR D 126
GLU D 166
HIS D 163
1.68A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU B  14
SER B  10
PHE D   8
PHE D 150
1.42A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 124
GLU A  14
SER A  10
PHE C 305
1.71A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.72A18.98
3WL  A 401 (-3.3A)
None
None
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE D 305
1.71A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY D 124
GLU D  14
SER D  10
PHE B 150
1.35A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY B 124
GLU B  14
SER B  10
PHE D 150
1.19A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY C 143
TYR C 118
PHE C 140
HIS C 163
1.74A18.98
3WL  C 401 (-3.4A)
None
None
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY A 124
GLU A  14
SER A  10
PHE C 150
1.32A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.60A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.74A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.61A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.75A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m71 NSP12
NSP7
(SARS-CoV-2)		4 / 7
GLY A 413
TYR A 546
SER C  15
HIS C  36
1.73A19.48
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6m71 NSP12
NSP7
(SARS-CoV-2)		4 / 8
GLY A 413
TYR A 546
SER C  15
HIS C  36
1.71A19.48
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.68A18.98
X77  A 401 (-3.6A)
None
None
X77  A 401 (-4.1A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.69A18.98
X77  A 401 (-3.6A)
None
None
X77  A 401 (-4.1A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.72A18.98
U5G  A 401 (-3.0A)
None
None
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.69A18.98
U5G  A 401 (-3.0A)
None
None
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.70A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.65A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.63A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.71A18.98
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.21A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.41A18.98
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.58A15.02
None
None
DMS  A 405 (-3.4A)
DMS  A 405 (-3.9A)
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.73A15.02
None
None
None
DMS  A 405 (-3.9A)
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.56A15.02
None
None
DMS  A 405 (-3.4A)
DMS  A 405 (-3.9A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.75A15.02
None
None
None
DMS  A 405 (-3.9A)
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.67A19.53
None
None
P6N  A 502 (-2.8A)
P6N  A 502 (-3.8A)
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.73A19.53
P6N  A 502 ( 4.4A)
None
None
P6N  A 502 (-3.8A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
GLY A 138
TYR A 126
GLU A 166
HIS A 163
1.68A19.53
None
None
P6N  A 502 (-2.8A)
P6N  A 502 (-3.8A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.75A19.53
P6N  A 502 ( 4.4A)
None
None
P6N  A 502 (-3.8A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.75A19.53
PK8  A 401 ( 4.0A)
None
None
DMS  A 403 (-4.1A)
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.74A19.53
PK8  A 401 ( 4.0A)
None
None
DMS  A 403 (-4.1A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
GLY C  85
GLU C  64
SER C  84
PHE D 156
1.54A16.99
None
None
None
EDO  D 204 (-3.9A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.77A18.98
PJE  C   5 (-3.1A)
None
None
PJE  C   5 (-3.8A)
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.74A18.98
PJE  C   5 (-3.1A)
None
None
PJE  C   5 (-3.8A)
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.69A18.98
JRY  A 401 (-3.3A)
None
None
DMS  A 402 (-3.9A)
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 7
GLY A 143
TYR A 118
PHE A 140
HIS A 163
1.71A18.98
JRY  A 401 (-3.3A)
None
None
DMS  A 402 (-3.9A)