Ligand ID: TIQ


Drugbank ID:
DB08816
(Ticagrelor)


Indication:
For the prevention of thrombotic events (for example stroke or heart attack) in patients with acute coronary syndrome or myocardial infarction with ST elevation.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TIQ' 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.
5ALC_L_TIQL1210_1
(ANTI-TICAGRELOR FAB
72, HEAVY CHAIN
ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		5r83 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
HIS A  41
ILE A  43
SER A  46
TYR A  54
ASP A 187
1.78A20.77
K0G  A1001 ( 3.9A)
None
None
None
CL  A1005 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A   1
GLY A   2
TYR A 209
ALA A 206
1.50A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A 301
GLY A 302
TYR A 209
ALA A 206
1.63A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A  10
GLY A  11
ALA A  70
GLY A  15
1.64A19.18
None
None
DMS  A 403 ( 4.2A)
DMS  A 403 (-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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 174
TYR A  37
GLY A 179
PHE A 181
1.43A19.16
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 174
TYR A  37
GLY A 179
PHE A 181
1.42A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER B   1
GLY D 170
ILE B 281
SER B 284
1.38A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 174
TYR A  37
GLY A 179
PHE A 181
1.42A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER C   1
GLY A 170
ILE C 281
SER C 284
1.47A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER B   1
ILE B 281
GLY B 215
PHE B 305
1.37A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 8
SER C 139
TYR C 126
GLY C 138
ILE A 281
SER A 284
1.55A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY B 174
TYR B  37
GLY B 179
PHE B 181
1.40A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER D 301
GLY D 302
ALA D   7
GLY B 124
1.27A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY D 174
TYR D  37
GLY D 179
PHE D 181
1.37A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 8
SER A 139
TYR A 126
GLY A 138
ILE C 281
SER C 284
1.59A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER A 123
TYR A 118
GLY C 302
ALA C 210
1.18A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY C 174
TYR C  37
GLY C 179
PHE C 181
1.40A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER B 123
TYR B 118
GLY D 302
ALA D 210
1.17A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER A   1
ILE A 281
GLY A 215
PHE A 305
1.42A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 8
SER D 139
TYR D 126
GLY D 138
ILE B 281
SER B 284
1.56A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER C 301
GLY C 302
ALA C   7
GLY A 124
1.26A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 8
SER B 139
TYR B 126
GLY B 138
ILE D 281
SER D 284
1.58A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER A   1
GLY C 170
ILE A 281
SER A 284
1.40A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER D   1
GLY B 170
ILE D 281
SER D 284
1.45A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 174
TYR A  37
GLY A 179
PHE A 181
1.42A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR A  87
GLY A 115
ILE D 158
GLY A 148
1.12A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
TYR A 129
ILE A 715
GLY A  44
PHE A  45
1.43A12.46
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m71 NSP12
NSP7
(SARS-CoV-2)		4 / 8
TYR A 546
GLY A 413
ILE C  39
PHE A 441
1.58A12.46
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
SER A 682
GLY A 683
ILE A 539
GLY A 559
1.59A12.46
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6m71 NSP12
NSP7
(SARS-CoV-2)		4 / 8
TYR A 884
GLY A 841
SER C   4
PHE A 419
1.33A12.46
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
TYR A 346
GLY A 327
TYR A 674
ALA A 399
1.21A12.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER A 672
TYR A 674
GLY A 670
ALA B 162
1.06A12.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
SER A 681
GLY A 683
ALA A 376
GLY A 503
1.39A12.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER A 672
TYR A 674
GLY A 671
ALA B 162
1.36A12.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER B 884
GLY B 885
SER B1030
GLY B1035
0.88A12.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_1
(MEDI2452 HEAVY CHAIN
MEDI2452 LIGHT CHAIN)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ILE C 410
TYR C 423
PRO C 463
ASP C 398
LEU C 513
1.80A11.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY A 885
SER A1037
GLY A1035
PHE A 888
0.94A12.44
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY C 885
SER C1037
GLY C1035
PHE C 888
0.97A12.44
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w37 PROTEIN 7A
(SARS-CoV-2)		5 / 8
SER A  29
TYR A  25
GLY A  27
ALA A  64
PHE A  48
1.74A16.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
TYR C 365
ILE C 410
GLY C 431
PHE C 515
1.69A23.26
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H  96
GLY H  97
ILE L  28
GLY C 431
1.37A35.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w41 CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY C 431
TRP L  50
TYR L  91
PHE C 515
1.74A24.30
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
TYR C 495
ILE C 434
SER C 375
PHE C 497
1.61A23.26
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR H  52
GLY H  97
TYR C 365
GLY C 381
1.63A34.36
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
SER C 494
GLY C 496
GLY C 447
PHE C 497
1.70A24.30
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H  96
GLY H  97
TRP L  50
GLY C 381
1.39A34.36
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H  96
GLY H  97
TRP L  50
GLY C 381
1.25A35.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w4h NSP10
NSP16
(SARS-CoV-2)		5 / 8
SER B4325
GLY B4322
TYR A6845
ALA A6843
PHE B4321
1.57A20.00
None
None
SAM  A7102 (-4.5A)
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6872
GLY A6871
ALA A6843
GLY A6879
1.44A
SAM  A7104 (-4.4A)
SAM  A7104 (-4.4A)
None
SAM  A7104 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLY A6911
ILE A6951
SER A6927
GLY A6869
1.51A
None
None
None
SAM  A7104 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6903
ILE A6926
SER A6927
GLY A6869
1.40A
None
None
None
SAM  A7104 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6973
TYR A6930
ILE A6925
GLY A6869
1.77A21.27
EDO  A7102 ( 4.7A)
KCX  A6935 ( 4.7A)
None
SAM  A7104 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLY A6963
ILE A7065
GLY A7011
PHE A6985
1.69A21.27
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 8
SER B4325
GLY B4322
TYR A6845
ALA A6843
PHE B4321
1.54A
None
None
SAM  A7104 (-4.6A)
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w61 NSP10
(SARS-CoV-2)		4 / 8
GLY B4380
ILE B4352
SER B4320
GLY B4305
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
SER A6927
GLY A6869
PHE A6901
1.64A
None
None
SAM  A7104 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 174
TYR A  37
GLY A 179
PHE A 181
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER B 111
GLY B  78
ALA B 129
GLY B  97
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER B 128
GLY B  97
TYR B  42
GLY B  79
1.75A20.93
MES  B 201 ( 4.5A)
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER A 139
TYR A 113
ALA A  50
PHE A 116
1.61A20.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER A 111
GLY A  78
ALA A 129
GLY A  97
1.55A
None
None
AMP  A 201 ( 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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER A 111
GLY A  78
ALA A 134
GLY A  97
1.77A20.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER B 139
TYR B 113
ALA B  50
PHE B 116
1.61A20.93
None
None
MES  B 201 ( 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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER B 111
GLY B  78
ALA B 134
GLY B  97
1.75A20.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 8
SER B4325
GLY B4322
TYR A6845
ALA A6843
PHE B4321
1.57A20.00
None
None
SAM  A7102 ( 4.5A)
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER A6903
ILE A6926
SER A6927
GLY A6869
1.46A21.17
None
None
None
SAM  A7102 ( 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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER A6872
GLY A6871
ALA A6843
GLY A6879
1.36A23.53
SAM  A7102 ( 4.6A)
SAM  A7102 ( 4.2A)
None
SAM  A7102 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
SER A6927
GLY A6869
PHE A6901
1.66A21.17
None
None
SAM  A7102 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER C6927
ILE C7088
SER C7090
PHE C6947
1.67A21.17
None
None
NA  C7104 ( 2.5A)
FMT  C7115 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
SER D4325
GLY D4322
ALA C6870
GLY C6879
1.67A20.00
None
None
None
SAM  C7105 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
SER B4325
GLY B4322
ALA A6870
GLY A6879
1.66A20.00
None
None
None
SAM  A7102 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER C6903
ILE C6926
SER C6927
GLY C6869
1.45A21.17
None
None
None
SAM  C7105 ( 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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER C6973
TYR C6930
ILE C6925
GLY C6869
1.69A21.17
None
FMT  C7107 ( 4.3A)
None
SAM  C7105 ( 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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w75 NSP10
(SARS-CoV-2)		4 / 8
GLY B4380
ILE B4352
SER B4320
GLY B4305
1.39A20.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w75 NSP10
(SARS-CoV-2)		4 / 8
GLY D4380
ILE D4352
SER D4320
GLY D4305
1.37A20.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER C6872
GLY C6871
ALA C6843
GLY C6879
1.35A23.53
SAM  C7105 ( 4.4A)
SAM  C7105 ( 4.2A)
None
SAM  C7105 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER A6973
TYR A6930
ILE A6925
GLY A6869
1.70A21.17
None
FMT  A7103 ( 4.4A)
None
SAM  A7102 ( 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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
SER C6927
GLY C6869
PHE C6901
1.67A21.17
None
None
SAM  C7105 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 8
SER D4325
GLY D4322
TYR C6845
ALA C6843
PHE D4321
1.58A20.00
None
None
SAM  C7105 ( 4.5A)
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
GLY A6963
ILE A7065
GLY A7011
PHE A6985
1.71A21.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wcf NSP3
(SARS-CoV-2)		4 / 8
SER A  80
GLY A  79
ALA A 129
GLY A  97
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wen NSP3
(SARS-CoV-2)		4 / 8
SER A 111
GLY A  78
ALA A 129
GLY A  97
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wey NSP3
(SARS-CoV-2)		4 / 8
SER A 315
GLY A 282
ALA A 333
GLY A 301
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wey NSP3
(SARS-CoV-2)		4 / 8
SER A 284
GLY A 283
ALA A 333
GLY A 301
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR E 333
GLY F 335
ALA E 273
GLY F 316
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR B 360
GLY B 278
ALA B 273
GLY B 275
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR C 333
GLY D 335
ALA C 273
GLY D 316
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR A 333
GLY B 335
ALA A 273
GLY B 316
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER B 318
TYR A 333
ILE A 304
PHE A 314
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER D 318
TYR C 333
ILE C 304
PHE C 314
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER C 318
TYR D 333
ILE D 304
PHE D 314
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER E 318
TYR F 333
ILE F 304
PHE F 314
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER A 318
TYR B 333
ILE B 304
PHE B 314
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR D 333
GLY C 335
ALA D 273
GLY C 316
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wjt NSP10
(SARS-CoV-2)		4 / 8
GLY D4380
ILE D4352
SER D4320
GLY D4305
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 8
SER B4325
GLY B4322
TYR A6845
ALA A6843
PHE B4321
1.57A
None
None
SAH  A7102 (-4.6A)
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
SER A6927
GLY A6869
PHE A6901
1.65A
None
None
SAH  A7102 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE C6925
SER C6927
GLY C6869
PHE C6901
1.65A
None
None
SAH  C7102 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 8
SER D4325
GLY D4322
TYR C6845
ALA C6843
PHE D4321
1.59A
None
None
SAH  C7102 (-4.6A)
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER C6903
ILE C6926
SER C6927
GLY C6869
1.47A
None
None
None
SAH  C7102 (-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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6903
ILE A6926
SER A6927
GLY A6869
1.48A
None
None
None
SAH  A7102 (-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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wjt NSP10
(SARS-CoV-2)		4 / 8
GLY B4380
ILE B4352
SER B4320
GLY B4305
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER C6872
GLY C6871
ALA C6843
GLY C6879
1.51A
SAH  C7102 (-4.7A)
SAH  C7102 (-4.4A)
None
SAH  C7102 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6872
GLY A6871
ALA A6843
GLY A6879
1.44A
SAH  A7102 ( 4.6A)
SAH  A7102 (-4.4A)
None
SAH  A7102 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR D 112
GLY D  85
GLY D  71
PHE D 110
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_1
(MEDI2452 HEAVY CHAIN
MEDI2452 LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
SER D  78
HIS C  59
THR C  54
TRP D  52
ASP D  82
1.70A17.65
None
ZN  D 202 (-3.2A)
MES  D 201 (-4.6A)
MES  D 201 (-3.5A)
ZN  D 202 (-2.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR C 112
GLY C  85
GLY C  71
PHE C 110
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR A 112
GLY A  85
GLY A  71
PHE A 110
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR D 112
GLY D  85
GLY D  71
PHE D 110
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY B  85
TYR B 109
ALA B  50
GLY B 116
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR A 112
GLY A  85
GLY A  71
PHE A 110
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR B 112
GLY B  85
GLY B  71
PHE B 110
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY A  85
TYR A 109
ALA A  50
GLY A 116
1.54A
None
MES  B 201 (-4.3A)
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR C 112
GLY C  85
GLY C  71
PHE C 110
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
TYR B 112
GLY B  85
GLY B  71
PHE B 110
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wkq NSP16
(SARS-CoV-2)		4 / 8
SER C6872
GLY C6871
ALA C6843
GLY C6879
1.36A
SFG  C7103 ( 4.5A)
SFG  C7103 ( 4.1A)
None
SFG  C7103 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkq NSP16
(SARS-CoV-2)		4 / 8
SER C6927
ILE C7088
SER C7090
PHE C6947
1.66A
None
None
NA  C7102 ( 2.7A)
FMT  C7105 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkq NSP16
(SARS-CoV-2)		4 / 8
SER A6903
ILE A6926
SER A6927
GLY A6869
1.47A
None
None
None
SFG  A7103 ( 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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkq NSP10
(SARS-CoV-2)		4 / 8
GLY D4380
ILE D4352
SER D4320
GLY D4305
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 8
SER D4325
GLY D4322
TYR C6845
ALA C6843
PHE D4321
1.58A
None
None
SFG  C7103 ( 4.5A)
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkq NSP16
(SARS-CoV-2)		4 / 8
SER C6903
ILE C6926
SER C6927
GLY C6869
1.45A
None
None
None
SFG  C7103 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 8
SER B4325
GLY B4322
TYR A6845
ALA A6843
PHE B4321
1.57A
None
None
SFG  A7103 ( 4.6A)
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE C6925
SER C6927
GLY C6869
PHE C6901
1.65A
None
None
SFG  C7103 ( 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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkq NSP10
(SARS-CoV-2)		4 / 8
GLY B4380
ILE B4352
SER B4320
GLY B4305
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wkq NSP16
(SARS-CoV-2)		4 / 8
SER A6872
GLY A6871
ALA A6843
GLY A6879
1.37A
SFG  A7103 ( 4.5A)
SFG  A7103 ( 4.2A)
None
SFG  A7103 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ILE A6925
SER A6927
GLY A6869
PHE A6901
1.64A
None
None
SFG  A7103 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
TYR B 325
GLY B 157
SER B 162
PHE B 195
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
TYR A 325
GLY A 157
SER A 162
PHE A 195
1.55A
None
None
EDO  A 408 ( 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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 174
TYR A  37
GLY A 179
PHE A 181
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER B 111
GLY B  78
ALA B 129
GLY B  97
1.46A
None
None
APR  B 201 (-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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER A 111
GLY A  78
ALA A 129
GLY A  97
1.57A
None
None
APR  A 201 (-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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A  42
GLY B 103
ALA B 129
GLY B 133
1.48A
None
None
APR  B 201 (-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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER D 111
GLY D  78
ALA D 129
GLY D  97
1.50A
None
None
APR  D 201 (-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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER C 111
GLY C  78
ALA C 129
GLY C  97
1.47A
None
None
APR  C 201 (-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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wq3 NSP10
(SARS-CoV-2)		4 / 8
GLY B4380
ILE B4352
SER B4320
GLY B4305
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 8
SER B4325
GLY B4322
TYR A6845
ALA A6843
PHE B4321
1.57A
None
None
SAH  A7101 (-4.5A)
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6872
GLY A6871
ALA A6843
GLY A6879
1.44A
SO4  A7109 (-4.5A)
SAH  A7101 (-4.3A)
None
SAH  A7101 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A6925
SER A6927
GLY A6869
PHE A6901
1.64A
None
None
SAH  A7101 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6903
ILE A6926
SER A6927
GLY A6869
1.46A
None
None
None
SAH  A7101 (-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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER A   1
GLY B 170
ILE A 281
SER A 284
1.15A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER A 123
TYR A 118
GLY B 302
ALA B 210
1.26A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER A  10
GLY A  11
ALA A  70
GLY A  15
1.65A19.18
None
None
DMS  A 406 ( 4.1A)
DMS  A 406 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER A 301
GLY A 302
TYR A 209
ALA A 206
1.63A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
SER A  38
TYR A  69
ALA A  10
GLY A 107
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
GLY A  76
TYR A  83
ALA A  85
GLY A  80
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  38
GLY E 381
TYR E 369
GLY H 101
1.29A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR C  97
GLY A 381
TYR A 369
GLY B 101
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 100
GLY H 101
ILE L  34
GLY E 431
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR C  38
GLY A 381
TYR A 369
GLY B 101
1.29A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR B  52
GLY B 101
SER A 514
GLY A 431
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 100
GLY H 101
TRP L  56
GLY E 381
1.50A
None
None
DMS  L1601 (-3.8A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALB_L_TIQL1210_1
(MEDI2452 HEAVY CHAIN
MEDI2452 LIGHT CHAIN)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
SER L  33
TRP L  56
PRO E 412
ASP E 428
LEU L  30
1.58A30.89
None
DMS  L1601 (-3.8A)
None
None
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALB_L_TIQL1210_1
(MEDI2452 HEAVY CHAIN
MEDI2452 LIGHT CHAIN)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
SER C  33
TRP C  56
PRO A 412
ASP A 428
LEU C  30
1.62A30.89
None
DMS  A 905 (-4.1A)
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER B 100
GLY B 101
TRP C  56
GLY A 381
1.42A
None
None
DMS  A 905 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 100
GLY H 101
TRP L  56
GLY E 381
1.36A
None
None
DMS  L1601 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  38
GLY E 381
ILE E 410
GLY E 431
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER E 373
ILE C 112
SER C  14
GLY C  16
1.20A
DMS  E 901 (-3.2A)
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR H  52
GLY H 101
SER E 514
GLY E 431
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER B 100
GLY B 101
TRP C  56
GLY A 381
1.55A
None
None
DMS  A 905 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 103
TYR L  31
GLY E 381
GLY E 431
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER B 103
TYR C  31
GLY A 381
GLY A 431
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  38
GLY E 381
ILE E 434
GLY H 101
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR C  38
GLY A 381
ILE A 434
GLY B 101
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR C  38
GLY A 381
ILE A 410
GLY A 431
1.53A
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALB_L_TIQL1210_1
(MEDI2452 HEAVY CHAIN
MEDI2452 LIGHT CHAIN)		6ym0 LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
SER L  33
TRP L  56
PRO E 412
ASP E 428
LEU L  30
1.57A30.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 100
GLY H 101
ILE L  34
GLY E 431
1.18A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  38
GLY E 381
TYR E 369
GLY H 101
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 103
TYR L  38
GLY E 381
GLY E 431
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6ym0 LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  31
GLY E 381
ILE E 410
GLY E 431
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 103
TYR L  31
GLY E 381
GLY E 431
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6ym0 LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  38
GLY E 381
ILE E 410
GLY E 431
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  38
GLY E 381
ILE E 434
GLY H 101
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 103
TYR L  31
GLY E 381
GLY E 431
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER B 100
GLY B 101
ILE C  34
GLY A 431
1.22A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR E 473
SER B  84
GLY B  15
PHE E 456
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR C  38
GLY A 381
TYR A 369
GLY B 101
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 100
GLY H 101
TRP L  56
GLY E 381
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  38
GLY E 381
ILE E 410
GLY E 431
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR C  38
GLY A 381
ILE A 434
GLY B 101
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  38
GLY E 381
TYR E 369
GLY H 101
1.28A
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALB_L_TIQL1210_1
(MEDI2452 HEAVY CHAIN
MEDI2452 LIGHT CHAIN)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
SER L  33
TRP L  56
PRO E 412
ASP E 428
LEU L  30
1.57A30.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR E 489
SER B  17
GLY B  15
PHE E 456
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER B 103
TYR C  31
GLY A 381
GLY A 431
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER B 119
TYR E 489
GLY E 485
TYR B 180
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  38
GLY E 381
ILE E 434
GLY H 101
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER B 119
TYR E 489
GLY E 485
TYR B 149
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER B 100
GLY B 101
TRP C  56
GLY A 381
1.36A
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALB_L_TIQL1210_1
(MEDI2452 HEAVY CHAIN
MEDI2452 LIGHT CHAIN)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
SER C  33
TRP C  56
PRO A 412
ASP A 428
LEU C  30
1.57A30.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR A 473
SER H  84
GLY H  15
PHE A 456
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR B  52
GLY B 101
SER A 514
GLY A 431
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 100
GLY H 101
TRP L  56
GLY E 381
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR C  38
GLY A 381
ILE A 410
GLY A 431
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR A 489
SER H  17
GLY H  15
PHE A 456
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR H  52
GLY H 101
SER E 514
GLY E 431
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER H 100
GLY H 101
ILE L  34
GLY E 431
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER B 100
GLY B 101
TRP C  56
GLY A 381
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER B 119
TYR E 489
GLY E 485
SER B 176
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 174
TYR A  37
GLY A 179
PHE A 181
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER E 111
GLY E  78
ALA E 129
GLY E  97
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A 111
GLY A  78
ALA A 129
GLY A  97
1.50A
EDO  D 202 (-3.6A)
None
None
EDO  A 202 ( 4.9A)
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B 111
GLY B  78
ALA B 129
GLY B  97
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C 111
GLY C  78
ALA C 129
GLY C  97
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER D 111
GLY D  78
ALA D 129
GLY D  97
1.49A
None
None
EDO  D 205 (-4.5A)
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER D 111
GLY D  78
ALA D 129
GLY D  97
1.46A
EDO  A 206 (-3.3A)
None
APR  D 201 (-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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C 111
GLY C  78
ALA C 129
GLY C  97
1.45A
None
None
APR  C 201 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A 111
GLY A  78
ALA A 129
GLY A  97
1.44A
None
None
APR  A 201 ( 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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B 111
GLY B  78
ALA B 129
GLY B  97
1.55A
None
None
APR  B 201 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER E 111
GLY E  78
ALA E 129
GLY E  97
1.45A
None
None
APR  E 201 (-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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A 111
GLY A  78
ALA A 129
GLY A  97
1.47A
EDO  C 205 (-3.5A)
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C 111
GLY C  78
ALA C 129
GLY C  97
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B 111
GLY B  78
ALA B 129
GLY B  97
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 174
TYR A  37
GLY A 179
PHE A 181
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7btf NSP12
(SARS-CoV-2)		4 / 8
TYR A 346
GLY A 327
TYR A 674
ALA A 399
1.29A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER A 672
TYR A 674
GLY A 670
ALA B 162
1.05A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7btf NSP12
(SARS-CoV-2)		4 / 8
TYR A 129
ILE A 715
GLY A  44
PHE A  45
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7btf NSP12
(SARS-CoV-2)		4 / 8
SER A 229
GLY A 230
ILE A  86
GLY A 203
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7btf NSP12
NSP7
(SARS-CoV-2)		4 / 8
SER C  15
GLY A 413
ILE A 847
PHE A 843
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7btf NSP12
NSP7
(SARS-CoV-2)		4 / 8
TYR A 884
GLY A 841
SER C   4
PHE A 419
1.14A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER A 672
TYR A 674
GLY A 671
ALA B 162
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER A 672
TYR A 674
GLY A 670
SER B 164
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7btf NSP12
(SARS-CoV-2)		4 / 8
SER A 682
GLY A 683
ILE A 539
GLY A 559
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7btf NSP12
NSP7
(SARS-CoV-2)		4 / 8
TYR A 546
GLY A 413
ILE C  39
PHE A 441
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
SER A   1
ILE A 281
GLY A 215
PHE A 305
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 174
TYR A  37
GLY A 179
PHE A 181
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
SER A 301
GLY A 302
TYR A 209
ALA A 211
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7bv1 NSP12
NSP7
(SARS-CoV-2)		4 / 8
TYR A 546
GLY A 413
ILE C  39
PHE A 441
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
SER A 229
GLY A 230
ILE A  86
GLY A 203
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER A 672
TYR A 674
GLY A 670
ALA B 162
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
TYR A 346
GLY A 327
TYR A 674
ALA A 399
1.25A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
TYR A 129
ILE A 715
GLY A  44
PHE A  45
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
SER A 681
GLY A 683
ALA A 376
GLY A 503
1.57A
None
U  T  10 ( 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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7bv2 NSP12
NSP7
(SARS-CoV-2)		4 / 8
TYR A 546
GLY A 413
ILE C  39
PHE A 441
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER A 672
TYR A 674
GLY A 670
ALA B 162
1.24A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
SER A 229
GLY A 230
ILE A  86
GLY A 203
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
TYR A 346
GLY A 327
TYR A 674
ALA A 399
1.26A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
TYR A 129
ILE A 715
GLY A  44
PHE A  45
1.47A
None