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'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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_B_DMEB996_1
(ACETYLCHOLINESTERASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 6
TYR B 126
ILE B 106
TYR B 161
GLY B 149
1.25A21.12
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)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR B 126
ILE B 106
TYR B 161
GLY B 149
1.15A20.94
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)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.55A21.74
None
None
I12  A1145 (-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)		1yo4 HYPOTHETICAL PROTEIN
X4
(SARSr-CoV)		4 / 8
GLY A  27
TYR A  25
TYR A  60
HIS A  47
1.56A8.69
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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR A 126
ILE A 106
TYR A 161
GLY A 149
1.31A21.12
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)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 6
TYR B 126
ILE B 106
TYR B 161
GLY B 149
1.30A21.51
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)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.62A20.80
None
None
None
CY6  A1145 (-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)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR A 126
ILE A 106
TYR A 161
GLY A 149
1.21A21.74
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)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 6
TRP H 103
TYR L  96
ILE H  51
GLY S 488
1.31A17.61
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)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLY B  82
GLU B  78
SER B  79
TYR B 155
1.43A19.45
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)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 6
TYR B 118
GLU B 166
TYR B 126
GLY B 124
1.31A20.57
None
WR1  B 602 (-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_D_DMED999_1
(ACETYLCHOLINESTERASE)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 8
GLY B 138
TYR B 126
GLU B 166
HIS B 163
1.57A21.16
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)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 6
TYR A 126
ILE A 106
TYR A 161
GLY A 149
1.21A21.16
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)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.42A20.04
None
CYV  A 302 (-3.1A)
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)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.64A20.04
None
None
None
CYV  A 302 (-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)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.31A20.90
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)		2z9l 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
TYR B 118
GLU B 166
SER A   1
HIS B 172
1.48A20.94
None
DMS  B 603 ( 4.2A)
DMS  B 603 ( 4.3A)
DMS  B 603 ( 4.8A)
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)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A 138
TYR A 126
TYR A 118
HIS A 163
1.62A20.94
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)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASP A 225
TYR A 521
GLU A 571
PHE A 400
TYR A 217
1.68A22.69
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)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR A 510
ASP A 509
PHE A 464
TYR A 199
1.70A23.71
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)		3d0i ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
GLY F 480
TYR F 481
GLU B  35
TYR F 491
1.65A17.61
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)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.35A19.86
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		3e9s NSP3
(SARSr-CoV)		4 / 8
GLY A 164
TYR A 274
GLU A 162
TYR A 269
1.59A19.42
TTT  A 317 (-3.8A)
None
None
TTT  A 317 (-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)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR B 126
ILE B 106
TYR B 161
GLY B 149
1.22A20.00
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)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A 124
TYR A 126
GLU A  14
SER A  10
1.63A21.16
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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASP A 176
GLY A 149
PHE A 112
TYR A 182
HIS A 163
1.55A20.25
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)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR B 126
ILE B 106
TYR B 161
GLY B 149
1.19A21.16
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)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		4 / 8
GLY F   0
TYR D 171
GLU A 154
TRP D  51
1.63A3.01
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_C_DMEC997_1
(ACETYLCHOLINESTERASE)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 12
TYR A  59
SER C   5
TYR A  99
PHE A   9
TYR A   7
1.77A18.46
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)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.30A20.94
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)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR B 126
ILE B 106
TYR B 161
GLY B 149
1.16A20.50
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)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 138
TYR B 126
SER A   1
TYR B 161
1.38A20.50
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)		3sci ACE2
(Homo
sapiens)		4 / 6
TYR B 510
ASP B 509
PHE B 464
TYR B 199
1.66A23.40
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)		3sck ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
GLY E 480
TYR E 481
GLU A  35
TYR E 491
1.65A17.19
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.
1MAA_A_DMEA998_1
(ACETYLCHOLINESTERASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASP A 225
TYR A 521
GLU A 571
PHE A 400
TYR A 217
1.76A22.69
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)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR A 510
ASP A 509
PHE A 464
TYR A 199
1.67A23.56
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.62A20.04
None
None
ECC  H   5 ( 4.7A)
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_B_DMEB996_1
(ACETYLCHOLINESTERASE)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.28A20.04
None
ECC  H   5 ( 4.7A)
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_D_DMED999_1
(ACETYLCHOLINESTERASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 138
TYR B 126
TYR B 118
HIS B 163
1.63A20.76
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)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.38A20.76
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)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		4 / 8
GLY B  82
GLU B  78
SER B  79
TYR B 155
1.55A19.42
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)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 8
GLY A 248
SER A 247
TYR A 279
HIS A 171
1.59A21.87
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)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR B 118
GLU B 166
TYR B 126
GLY B 124
1.41A21.27
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)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 138
TYR B 126
TYR B 118
HIS B 163
1.65A21.27
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)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR B 126
ILE B 106
TYR B 161
GLY B 149
1.15A20.94
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
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)		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		4 / 8
GLY A 126
SER A 123
TYR B 208
HIS A 149
1.43A8.78
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
TYR A 197
GLU A  45
ILE A 272
GLY A  39
1.41A17.06
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)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
GLY B 175
SER B 224
TYR B 144
HIS B 298
1.58A18.10
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)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR A  53
ASP A  44
TYR A 266
PHE B 548
1.71A17.16
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)		6acj ACE2
(Homo
sapiens)		5 / 12
ASP D 225
TYR D 521
GLU D 571
PHE D 400
TYR D 217
1.45A22.64
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_D_DMED999_1
(ACETYLCHOLINESTERASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
TRP B 619
TYR B 598
GLU B 285
SER B 303
1.60A18.77
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)		6ack ACE2
(Homo
sapiens)		4 / 8
GLY D 200
GLU D 457
SER D 511
TYR D 217
1.50A22.64
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.
2XUD_A_DMEA1544_1
(ACETYLCHOLINESTERASE)		6cs2 ACE2
(Homo
sapiens)		4 / 6
TYR D 207
TYR D 217
TYR D 516
HIS D 228
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.
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)		6lzg ACE2
(Homo
sapiens)		4 / 8
GLY A 205
TYR A 196
GLU A 398
TYR A 199
1.60A22.64
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.
5E2I_A_DMEA605_1
(ACETYLCHOLINESTERASE)		6lzg ACE2
(Homo
sapiens)		4 / 6
TYR A 510
ASP A 509
PHE A 464
TYR A 199
1.71A23.71
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.
5E2I_A_DMEA605_1
(ACETYLCHOLINESTERASE)		6m1d ACE2
(Homo
sapiens)		4 / 6
TYR D 510
ASP D 509
PHE D 464
TYR D 199
1.80A20.88
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)		6m1d ACE2
(Homo
sapiens)		4 / 8
GLY B 399
GLU B 406
TYR B 381
HIS B 374
1.31A20.90
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_A_DMEA998_1
(ACETYLCHOLINESTERASE)		6vw1 ACE2
(Homo
sapiens)		5 / 12
ASP A 225
TYR A 521
GLU A 571
PHE A 400
TYR A 217
1.66A22.64
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)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
TYR L  87
GLU L 165
ILE L  21
GLY L  99
1.61A13.44
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)		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 LIGHT CHAIN
(Homo
sapiens)		4 / 6
TYR L  93
GLU L 171
ILE L  21
GLY L 105
1.70A17.61
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 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY H  26
TYR H  27
SER H  25
TYR C  92
1.65A17.55
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 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY B  26
TYR B  27
SER B  25
TYR L  92
1.63A17.55
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
(Homo
sapiens)		4 / 6
GLU C  87
ILE H  34
TYR H  52
GLY H 101
1.35A17.61
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
(Homo
sapiens)		4 / 6
TYR C  93
GLU C 171
ILE C  21
GLY C 105
1.63A17.61
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)		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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
GLU L  87
ILE B  34
TYR B  52
GLY B 101
1.28A17.61
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)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 6
TYR L  93
GLU L 171
ILE L  21
GLY L 105
1.77A17.61
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.
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