Ligand ID: 097


Drugbank ID:
DB00786
(Marimastat)


Indication:
For the treatment of various cancers

Get human targets for 097 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '097' 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.
2JIH_B_097B1001_1
(ADAMTS-1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
1.58A19.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.52A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
1.79A19.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 245
LEU A 242
THR A 201
LEU A 250
1.68A19.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
1.45A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
1.58A21.32
DMS  A 401 ( 4.9A)
ELL  D   3 (-4.6A)
ELL  D   3 (-3.7A)
ELL  D   3 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.67A20.00
None
ELL  D   3 (-4.6A)
ELL  D   3 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		6m03 MAIN PROTEASE
(SARS-CoV-2)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.31A21.81
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
1.54A21.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.67A19.93
None
ELL  D   3 (-4.5A)
ELL  D   3 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
THR A 199
GLU A 240
HIS A 246
LEU A 268
1.64A21.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
1.58A21.02
None
ELL  D   3 (-4.5A)
ELL  D   3 ( 3.6A)
ELL  D   3 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
LEU D 167
HIS D 172
GLU D 166
HIS D 163
1.55A21.36
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.
1R55_A_097A518_1
(ADAM 33)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
ALA D 193
HIS D 172
HIS D 163
ALA D 173
THR D 135
1.69A19.81
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
LEU B 242
THR B 201
GLU B 240
LEU B 205
1.33A21.36
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.
1R55_A_097A518_1
(ADAM 33)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
ALA A 173
THR A 135
VAL A 171
THR A 169
ALA A 193
1.77A19.81
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP D 245
LEU D 242
THR D 201
LEU D 250
1.67A21.36
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 245
LEU A 242
THR A 201
LEU A 250
1.63A21.36
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.49A21.81
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
LEU B 167
HIS B 172
GLU B 166
HIS B 163
1.66A21.36
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.
1R55_A_097A518_1
(ADAM 33)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.70A19.81
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
LEU C 167
HIS C 172
GLU C 166
HIS C 163
1.60A21.36
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
LEU B 242
THR B 201
GLU B 240
ILE B 249
LEU B 250
1.19A21.81
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.
1R55_A_097A518_1
(ADAM 33)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
ALA B 193
HIS B 172
HIS B 163
ALA B 173
THR B 135
1.75A19.81
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP B 248
THR B 201
GLU B 240
LEU B 205
1.67A21.36
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.
1R55_A_097A518_1
(ADAM 33)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
ALA C 193
HIS C 172
HIS C 163
ALA C 173
THR C 135
1.71A19.81
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
1.64A21.36
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
HIS A 572
GLU A 658
HIS A 642
LEU A 576
1.56A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
LEU A 316
THR A 319
HIS A 347
LEU A 282
1.43A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 303
LEU A 636
HIS A 642
LEU A 655
1.58A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_B_097B801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		6m71 NSP8
(SARS-CoV-2)		5 / 9
ASP B 163
LEU B 180
GLU B 171
ILE B 185
LEU B 184
1.78A23.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
THR A 686
HIS A 572
HIS A 642
LEU A 576
1.67A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 481
THR A 643
HIS A 642
HIS A 572
1.59A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 208
THR A 141
HIS A 133
LEU A 127
1.32A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
LEU A  88
THR A  57
HIS A  45
HIS A  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
LEU B  53
THR B  57
HIS B  86
LEU B  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
LEU A  53
THR A  57
HIS A  86
LEU A  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
LEU B  88
THR B  57
HIS B  45
HIS B  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ASP B 745
LEU B 977
HIS A 519
LEU B 981
1.28A13.17
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ASP A6895
LEU A6893
THR A6891
LEU A6924
1.76A21.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.77A19.81
None
X77  A 401 ( 4.6A)
X77  A 401 (-4.1A)
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 245
LEU A 242
THR A 201
LEU A 250
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
1.59A
None
X77  A 401 ( 4.6A)
X77  A 401 (-3.4A)
X77  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU A  88
THR A  57
HIS A  45
HIS A  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU B  53
THR B  57
HIS B  86
LEU B  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU A  53
THR A  57
HIS A  86
LEU A  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU B  88
THR B  57
HIS B  45
HIS B  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP A6923
LEU A6924
HIS A6867
LEU A6887
1.78A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP C6923
LEU C6924
HIS C6867
LEU C6887
1.77A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP A6895
LEU A6893
THR A6891
LEU A6924
1.72A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP C6895
LEU C6893
THR C6891
LEU C6924
1.69A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
LEU B  16
THR B  10
HIS B  17
GLU B  67
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
LEU A  16
THR A  10
HIS A  17
GLU A  67
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		4 / 8
ASP A  50
LEU A  69
GLU A  70
LEU A  44
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6wcf NSP3
(SARS-CoV-2)		4 / 8
LEU A  88
THR A  57
HIS A  45
HIS A  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6wcf NSP3
(SARS-CoV-2)		4 / 8
LEU A  53
THR A  57
HIS A  86
LEU A  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6wen NSP3
(SARS-CoV-2)		4 / 8
LEU A  53
THR A  57
HIS A  86
LEU A  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6wen NSP3
(SARS-CoV-2)		4 / 8
LEU A  88
THR A  57
HIS A  45
HIS A  94
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.
1R55_A_097A518_1
(ADAM 33)		6wen NSP3
(SARS-CoV-2)		5 / 10
ALA A 124
VAL A  36
HIS A  94
HIS A  45
ALA A  38
1.75A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6wey NSP3
(SARS-CoV-2)		4 / 8
LEU A 292
THR A 261
HIS A 249
HIS A 298
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6wey NSP3
(SARS-CoV-2)		4 / 8
LEU A 257
THR A 261
HIS A 290
LEU A 292
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.
1R55_A_097A518_1
(ADAM 33)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 10
ALA D  90
THR D  91
HIS A 145
HIS D  59
ALA D  55
1.76A19.90
None
None
ZN  A 201 (-3.1A)
ZN  A 201 (-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.
2JIH_B_097B1001_1
(ADAMTS-1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP D 103
LEU D 104
HIS A 145
HIS D  59
1.60A
None
None
ZN  A 201 (-3.1A)
ZN  A 201 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP B 103
LEU B 104
HIS C 145
HIS B  59
1.62A
None
None
ZN  C 201 (-3.4A)
ZN  C 201 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
LEU B 139
THR B 141
HIS B 145
HIS A  59
1.50A
None
None
ZN  B 202 (-3.3A)
ZN  B 202 (-2.6A)
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
LEU D 139
THR D 141
HIS D 145
HIS C  59
1.47A
None
None
ZN  D 202 (-3.4A)
ZN  D 202 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
1.59A
U5G  A 401 (-3.9A)
None
U5G  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU C  88
THR C  57
HIS C  45
HIS C  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A  53
THR A  57
HIS A  86
LEU A  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU B  53
THR B  57
HIS B  86
LEU B  88
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU D  53
THR D  57
HIS D  86
LEU D  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU D  88
THR D  57
HIS D  45
HIS D  94
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.
1R55_A_097A518_1
(ADAM 33)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ALA B 124
VAL B  36
HIS B  94
HIS B  45
ALA B  38
1.77A20.18
None
None
None
None
APR  B 201 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU B  88
THR B  57
HIS B  45
HIS B  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU C  53
THR C  57
HIS C  86
LEU C  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A  88
THR A  57
HIS A  45
HIS A  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
ASP A  37
LEU A  87
THR A  90
HIS A  89
1.58A
None
None
None
GOL  A 507 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		6y2f REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.66A19.81
None
O6K  A 502 ( 4.5A)
O6K  A 502 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
1.78A19.93
None
None
DMS  A 404 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 245
LEU A 242
THR A 201
LEU A 250
1.67A19.93
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
1.56A19.93
None
DMS  A 405 ( 4.8A)
DMS  A 405 (-3.4A)
DMS  A 405 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 248
THR A 201
GLU A 240
LEU A 205
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.
2JIH_A_097A1001_1
(ADAMTS-1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
ASP A 245
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.79A20.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
1.62A
None
None
P6N  A 502 (-2.8A)
P6N  A 502 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
1.66A
None
None
PEG  A 405 (-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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.44A21.81
None
None
PEG  A 405 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A  88
THR A  57
HIS A  45
HIS A  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU C  53
THR C  57
HIS C  86
LEU C  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU E  88
THR E  57
HIS E  45
HIS E  94
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.
1R55_A_097A518_1
(ADAM 33)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA D 124
VAL D  36
HIS D  94
HIS D  45
ALA D  38
1.79A19.91
None
None
None
None
EDO  D 205 (-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.
1R55_A_097A518_1
(ADAM 33)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA E 124
VAL E  36
HIS E  94
HIS E  45
ALA E  38
1.76A19.91
None
None
None
None
EPE  E 202 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU E  53
THR E  57
HIS E  86
LEU E  88
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.
1R55_A_097A518_1
(ADAM 33)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA A 124
VAL A  36
HIS A  94
HIS A  45
ALA A  38
1.76A19.91
None
None
None
None
EDO  A 202 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA C 124
VAL C  36
HIS C  94
HIS C  45
ALA C  38
1.77A19.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU D  88
THR D  57
HIS D  45
HIS D  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B  88
THR B  57
HIS B  45
HIS B  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU D  53
THR D  57
HIS D  86
LEU D  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B  53
THR B  57
HIS B  86
LEU B  88
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA B 124
VAL B  36
HIS B  94
HIS B  45
ALA B  38
1.76A19.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU C  88
THR C  57
HIS C  45
HIS C  94
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A  53
THR A  57
HIS A  86
LEU A  88
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.
1R55_A_097A518_1
(ADAM 33)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA C 124
VAL C  36
HIS C  94
HIS C  45
ALA C  38
1.77A19.91
None
None
None
None
APR  C 201 (-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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A  88
THR A  57
HIS A  45
HIS A  94
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.
1R55_A_097A518_1
(ADAM 33)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA A 124
VAL A  36
HIS A  94
HIS A  45
ALA A  38
1.76A19.91
None
None
None
None
APR  A 201 (-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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B  88
THR B  57
HIS B  45
HIS B  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU E  53
THR E  57
HIS E  86
LEU E  88
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.
1R55_A_097A518_1
(ADAM 33)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA B 124
VAL B  36
HIS B  94
HIS B  45
ALA B  38
1.77A19.91
None
None
None
None
APR  B 201 (-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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B  53
THR B  57
HIS B  86
LEU B  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU C  88
THR C  57
HIS C  45
HIS C  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU C  53
THR C  57
HIS C  86
LEU C  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU D  53
THR D  57
HIS D  86
LEU D  88
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU E  88
THR E  57
HIS E  45
HIS E  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A  53
THR A  57
HIS A  86
LEU A  88
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA E 124
VAL E  36
HIS E  94
HIS E  45
ALA E  38
1.78A19.91
None
None
None
None
APR  E 201 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA D 124
VAL D  36
HIS D  94
HIS D  45
ALA D  38
1.78A19.91
None
None
None
None
APR  D 201 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU D  88
THR D  57
HIS D  45
HIS D  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B 140
HIS B 138
GLU A  25
LEU B 126
1.47A
None
EDO  B 204 ( 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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A  88
THR A  57
HIS A  45
HIS A  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU C  53
THR C  57
HIS C  86
LEU C  88
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A  53
THR A  57
HIS A  86
LEU A  88
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA A 124
VAL A  36
HIS A  94
HIS A  45
ALA A  38
1.76A19.91
None
None
None
None
MES  A 201 (-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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B  53
THR B  57
HIS B  86
LEU B  88
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.
1R55_A_097A518_1
(ADAM 33)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ALA C 124
VAL C  36
HIS C  94
HIS C  45
ALA C  38
1.79A19.91
None
None
None
None
MES  C 201 (-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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU C  88
THR C  57
HIS C  45
HIS C  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B  88
THR B  57
HIS B  45
HIS B  94
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.
2JIH_B_097B1001_1
(ADAMTS-1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
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.
2JIH_B_097B1001_1
(ADAMTS-1)		7bqy MAIN PROTEASE

(SARS-CoV-2;
synthetic
construct)		4 / 8
GLU A 166
HIS A 172
HIS A 163
LEU C   4
1.60A
PJE  C   5 (-3.7A)
PJE  C   5 (-4.4A)
PJE  C   5 (-3.8A)
PJE  C   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
1.55A
None
PJE  C   5 (-4.4A)
PJE  C   5 (-3.7A)
PJE  C   5 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		7bqy MAIN PROTEASE

(SARS-CoV-2;
synthetic
construct)		5 / 10
ALA C   2
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.73A14.29
02J  C   1 ( 3.6A)
PJE  C   5 (-4.4A)
PJE  C   5 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.74A19.81
None
PJE  C   5 (-4.4A)
PJE  C   5 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		7btf NSP12
(SARS-CoV-2)		5 / 10
THR A 567
THR A 686
HIS A 572
GLU A 658
HIS A 642
1.73A12.95
None
None
None
None
ZN  A1002 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		7btf NSP12
(SARS-CoV-2)		5 / 9
ASP A 893
LEU A 895
THR A 853
ILE A 888
LEU A 891
1.55A13.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 208
THR A 141
HIS A 133
LEU A 127
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.
1R55_A_097A518_1
(ADAM 33)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.67A19.81
None
DMS  A 402 (-4.4A)
DMS  A 402 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
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.
2JIH_B_097B1001_1
(ADAMTS-1)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 167
HIS A 172
GLU A 166
HIS A 163
1.60A
DMS  A 405 ( 4.9A)
DMS  A 402 (-4.4A)
DMS  A 402 ( 3.9A)
DMS  A 402 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		7bv1 NSP7
NSP8
(SARS-CoV-2)		4 / 8
ASP D  99
LEU D  98
THR C   9
LEU D  95
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.
2JIH_B_097B1001_1
(ADAMTS-1)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 304
LEU A 308
HIS A 309
LEU A 470
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.
2JIH_B_097B1001_1
(ADAMTS-1)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 804
THR A 817
HIS A 872
LEU A 819
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.
2JIH_B_097B1001_1
(ADAMTS-1)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
HIS A 572
GLU A 658
HIS A 642
LEU A 576
1.54A
None
None
ZN  A1002 (-3.1A)
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.
2JIH_B_097B1001_1
(ADAMTS-1)		7bv1 NSP7
NSP8
(SARS-CoV-2)		4 / 8
ASP D  99
LEU D  98
THR C   9
LEU D 103
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.
2JIH_B_097B1001_1
(ADAMTS-1)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 208
THR A 141
HIS A 133
LEU A 127
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.
2JIH_B_097B1001_1
(ADAMTS-1)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 481
THR A 643
HIS A 642
HIS A 572
1.60A
None
None
ZN  A1002 (-3.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
HIS A 572
GLU A 658
HIS A 642
LEU A 576
1.68A
None
None
ZN  A1002 (-3.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
ALA A 502
THR A 540
HIS A 381
ALA A 376
THR A 538
1.50A12.83
None