Ligand ID: DME


Drugbank ID:
DB01245
(Decamethonium)


Indication:
For use as a skeletal muscle relaxant

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'DME' 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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.71A13.11
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.40A13.11
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.64A13.11
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6lu7 MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.59A19.82
None
None
PJE  C   5 ( 3.9A)
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.66A19.75
None
None
ELL  D   3 (-3.7A)
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.64A19.75
None
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.39A19.75
None
ELL  D   3 (-3.7A)
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
GLU A 240
ILE A 136
TYR A 182
GLY A 174
1.75A19.75
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.66A20.75
None
None
DMS  A 403 ( 4.1A)
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
GLU A 240
ILE A 136
TYR A 182
GLY A 174
1.77A20.75
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.69A20.75
None
None
ELL  D   3 ( 3.6A)
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.43A20.75
DMS  A 403 ( 4.1A)
ELL  D   3 ( 3.6A)
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.44A19.82
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
TYR C 118
GLU C 166
TYR C 126
GLY C 124
1.30A19.82
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
TYR B 118
GLU B 166
TYR B 126
GLY B 124
1.35A19.82
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
GLU B 240
ILE B 136
TYR B 182
GLY B 174
1.72A19.82
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
GLU A 240
ILE A 136
TYR A 182
GLY A 174
1.73A19.82
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR B 118
GLU B 166
SER D   1
HIS B 172
1.79A19.82
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY D 138
TYR D 126
GLU D 166
TYR D 118
1.78A19.82
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.70A19.82
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY D 138
TYR D 126
TYR D 118
HIS D 163
1.66A19.82
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
TYR D 118
GLU D 166
TYR D 126
GLY D 124
1.36A19.82
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.72A19.82
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.43A19.82
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.
1MAA_A_DMEA998_1
(ACETYLCHOLINESTERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 458
GLY A 678
GLU A 665
SER A 664
TYR A 453
1.71A21.30
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6w41 CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR L  91
ILE L  28
TYR L  27
GLY C 381
1.59A13.44
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.40A19.82
None
X77  A 401 (-3.4A)
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.77A19.82
None
None
X77  A 401 (-3.4A)
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
GLU A 240
ILE A 136
TYR A 182
GLY A 174
1.72A19.82
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
TRP C 106
GLY C 271
TYR C 264
TYR C 112
1.70A19.40
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.69A19.82
None
None
U5G  A 401 (-4.4A)
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.60A19.82
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.31A19.82
None
U5G  A 401 (-4.4A)
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.74A19.82
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.65A19.82
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.40A19.82
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
TYR B 118
GLU B 166
TYR B 126
GLY B 124
1.23A19.82
None
O6K  B 401 ( 3.5A)
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.42A13.11
None
DMS  A 405 (-3.4A)
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.66A13.11
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.71A13.11
None
None
DMS  A 405 (-3.4A)
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 6
GLU A 134
ILE A  90
TYR A  47
GLY A  45
1.78A12.64
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 6
TYR A  72
ILE A  90
TYR A  47
GLY A  45
1.76A12.64
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR L  97
ILE L  34
TYR L  31
GLY E 381
1.52A17.61
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR C  97
ILE C  34
TYR C  31
GLY A 381
1.58A17.61
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR B  32
GLU C  61
TYR A 369
GLY B  28
1.62A17.55
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR H  32
GLU L  61
TYR E 369
GLY H  28
1.72A17.55
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY E 381
TYR L  31
SER E 383
TYR L 102
1.77A15.30
None
None
DMS  L1601 (-3.5A)
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.
5E2I_A_DMEA605_1
(ACETYLCHOLINESTERASE)		6ym0 LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR L  98
ASP E 428
TYR L  38
PHE E 429
1.76A18.53
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR H  32
GLU L  61
TYR E 369
GLY H  28
1.62A17.55
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6ym0 LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR L  97
ILE L  34
TYR L  31
GLY E 381
1.43A17.61
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.44A19.82
None
P6N  A 502 (-2.8A)
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.61A19.82
None
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR H  32
GLU L  61
TYR E 369
GLY H  28
1.72A17.55
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR B  32
GLU C  61
TYR A 369
GLY B  28
1.72A17.55
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY E 381
TYR L  31
SER E 383
TYR L 102
1.77A18.24
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
GLU B  16
ILE E 472
TYR E 473
GLY E 476
1.49A17.55
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR C  97
ILE C  34
TYR C  31
GLY A 381
1.52A17.61
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY A 381
TYR C  31
SER A 383
TYR C 102
1.77A18.24
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR L  97
ILE L  34
TYR L  31
GLY E 381
1.51A17.61
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.31A19.82
None
DMS  A 403 (-2.8A)
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.64A19.82
None
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.40A19.82
None
PJE  C   5 (-3.7A)
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 6
GLU A 240
ILE A 136
TYR A 182
GLY A 174
1.77A19.82
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.66A19.82
None
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.63A19.82
None
None
PJE  C   5 (-3.7A)
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.65A19.82
None
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 6
GLU A 240
ILE A 136
TYR A 182
GLY A 174
1.77A19.82
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.42A19.82
None
DMS  A 402 ( 3.9A)
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.68A19.82
None
None
DMS  A 402 ( 3.9A)
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.
1MAA_A_DMEA998_1
(ACETYLCHOLINESTERASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 458
GLY A 678
GLU A 665
SER A 664
TYR A 453
1.76A21.10
None