Ligand ID: 657


Drugbank ID:
DB00740
(Riluzole)


Indication:
For the treatment of amyotrophic lateral sclerosis (ALS, Lou Gehrig's Disease)

Get human targets for 657 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '657' 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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6m71 NSP7
(SARS-CoV-2)		5 / 10
LEU C  13
VAL C  12
LEU C  55
VAL C   6
ILE C  39
1.47A20.75

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6m71 NSP12
(SARS-CoV-2)		5 / 10
LEU A 178
VAL A 182
LEU A 146
ILE A 145
MET A 124
1.78A7.86

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6m71 NSP7
NSP8
(SARS-CoV-2)		5 / 10
ALA D 110
LEU C  60
VAL D 115
LEU C  56
VAL C  66
1.78A23.81

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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6m71 NSP12
(SARS-CoV-2)		5 / 10
ALA A 639
VAL A 637
GLU A 658
ILE A 307
MET A 633
1.66A7.86

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6m71 NSP12
(SARS-CoV-2)		5 / 10
ALA A 311
LEU A 308
LEU A 469
MET A 629
GLU A 350
1.70A7.86

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 10
ALA A 379
VAL A 342
LEU B 103
VAL B 115
ILE B 107
1.44A7.86

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ALA A1025
LEU A 727
VAL A1060
GLU A 780
ILE A1018
1.47A5.98
7.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6vxs NSP3
(SARS-CoV-2)		5 / 10
ALA A  52
LEU A  53
VAL A  49
LEU A  88
GLU A  25
1.56A21.39
21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ALA A1025
LEU A 727
VAL A1060
GLU A 780
ILE A1018
1.58A5.93
7.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ALA A1025
LEU A 727
VAL A1060
GLU A 780
ILE A1018
1.59A5.93
7.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ALA A6905
LEU A6893
VAL A6894
LEU A6883
ILE A6926
1.68A21.60
21.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ALA A6905
LEU A6893
VAL A6894
LEU A6887
ILE A6926
1.79A21.60
21.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ALA C6905
LEU C6893
VAL C6894
LEU C6887
ILE C6926
1.77A22.00
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ALA A6905
LEU A6893
VAL A6894
LEU A6883
ILE A6926
1.67A22.00
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ALA C6905
LEU C6893
VAL C6894
LEU C6883
ILE C6926
1.68A22.00
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6w75 NSP16
(SARS-CoV-2)		5 / 10
LEU C6857
VAL C6859
LEU C6852
ILE C6926
MET C6863
1.78A22.00
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ALA A6905
LEU A6893
VAL A6894
LEU A6887
ILE A6926
1.76A22.00
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 10
ALA A 176
LEU A 178
VAL A 202
ILE A 123
MET A 169
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 10
ALA C 176
LEU C 178
VAL C 202
ILE C 123
MET C 169
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 10
ALA B 176
LEU B 178
VAL B 202
ILE B 123
MET B 169
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 10
ALA B 152
LEU B 128
GLU A  50
VAL A  53
ILE B 120
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 10
ALA B 110
LEU A  60
VAL B 115
LEU A  56
VAL A  66
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 10
LEU C 353
LEU C 339
MET D 322
GLU D 323
ILE C 337
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
LEU C6857
VAL C6859
LEU C6852
ILE C6926
MET C6863
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ALA C6905
LEU C6893
VAL C6894
LEU C6887
ILE C6926
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ALA A6905
LEU A6893
VAL A6894
LEU A6887
ILE A6926
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ALA C6905
LEU C6893
VAL C6894
LEU C6883
ILE C6926
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ALA A6905
LEU A6893
VAL A6894
LEU A6883
ILE A6926
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wkq NSP16
(SARS-CoV-2)		5 / 10
ALA C6905
LEU C6893
VAL C6894
LEU C6883
ILE C6926
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wkq NSP16
(SARS-CoV-2)		5 / 10
LEU A6857
VAL A6859
LEU A6852
ILE A6926
MET A6863
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wkq NSP16
(SARS-CoV-2)		5 / 10
ALA A6905
LEU A6893
VAL A6894
LEU A6887
ILE A6926
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wkq NSP16
(SARS-CoV-2)		5 / 10
ALA C6905
LEU C6893
VAL C6894
LEU C6887
ILE C6926
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wkq NSP16
(SARS-CoV-2)		5 / 10
LEU C6857
VAL C6859
LEU C6852
ILE C6926
MET C6863
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wkq NSP16
(SARS-CoV-2)		5 / 10
ALA A6905
LEU A6893
VAL A6894
LEU A6883
ILE A6926
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
ALA A 206
LEU A 205
VAL A 202
LEU A 268
GLU A 288
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ALA A  52
LEU A  53
VAL A  49
LEU A  88
GLU A  25
1.59A
APR  A 201 ( 4.2A)
None
APR  A 201 (-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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ALA A6905
LEU A6893
VAL A6894
LEU A6883
ILE A6926
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ALA A6905
LEU A6893
VAL A6894
LEU A6887
ILE A6926
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 10
ALA D 152
LEU D 128
GLU C  50
VAL C  53
ILE D 120
1.80A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 10
ALA B 110
LEU A  60
VAL B 115
LEU A  56
VAL A  66
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wqd NSP7
(SARS-CoV-2)		5 / 10
LEU A  13
VAL A  12
LEU A  55
VAL A   6
ILE A  39
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 10
ALA B 152
LEU B 128
GLU A  50
VAL A  53
ILE B 120
1.74A
EDO  B 302 ( 4.3A)
None
EDO  B 302 ( 4.2A)
EDO  B 302 ( 4.8A)
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 10
ALA D 110
LEU C  60
VAL D 115
LEU C  56
VAL C  66
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wqd NSP7
(SARS-CoV-2)		5 / 10
LEU C  13
VAL C  16
LEU C  55
GLU C  23
VAL C  22
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 10
ALA A 176
LEU A 178
VAL A 202
ILE A 123
MET A 169
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6y84 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ALA A 206
LEU A 205
VAL A 202
LEU A 268
GLU A 288
1.48A14.38
17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ALA A 206
LEU A 205
VAL A 202
LEU A 268
GLU A 288
1.47A20.36
18.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 10
LEU C  13
VAL C  12
LEU C  55
VAL C   6
ILE C  39
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 10
ALA D 152
LEU D 128
GLU C  50
VAL C  53
ILE D 120
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 10
LEU C  13
VAL C  16
LEU C  55
GLU C  23
VAL C  22
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 10
ALA D 110
LEU C  60
VAL D 115
LEU C  56
VAL C  66
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 10
LEU A  13
VAL A  16
LEU A  55
GLU A  23
VAL A  22
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 10
LEU A  13
VAL A  12
LEU A  55
VAL A   6
ILE A  39
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 10
ALA B 110
LEU A  60
VAL B 115
LEU A  56
VAL A  66
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
LEU A 368
VAL A 367
LEU A 513
GLU A 340
ILE A 358
1.67A
None
NAG  A 904 (-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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
LEU E 368
VAL E 367
LEU E 513
GLU E 340
ILE E 358
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
LEU E 368
VAL E 367
LEU E 513
GLU E 340
ILE E 358
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
LEU A 368
VAL A 367
LEU A 513
GLU A 340
ILE A 358
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 10
ALA A 379
VAL A 342
LEU B 103
VAL B 115
ILE B 107
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7btf NSP12
(SARS-CoV-2)		5 / 10
LEU A 178
VAL A 182
LEU A 146
ILE A 145
MET A 124
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
ALA A 639
VAL A 637
GLU A 658
ILE A 307
MET A 633
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
LEU A 178
VAL A 182
LEU A 146
ILE A 145
MET A 124
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
ALA A 639
LEU A 638
VAL A 637
LEU A 576
ILE A 579
1.80A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 10
ALA A 379
VAL A 342
LEU B 103
VAL B 115
ILE B 107
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
ALA A 311
LEU A 308
LEU A 469
MET A 629
GLU A 350
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
ALA A 400
LEU A 388
VAL A 398
ILE A 450
MET A 668
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
ALA A 639
LEU A 638
VAL A 637
LEU A 576
ILE A 579
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 10
ALA A 379
VAL A 342
LEU B 103
VAL B 115
ILE B 107
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
LEU A 178
VAL A 182
LEU A 146
ILE A 145
MET A 124
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv2 NSP7
(SARS-CoV-2)		5 / 10
LEU C  13
VAL C  12
LEU C  55
VAL C   6
ILE C  39
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
ALA A 639
VAL A 637
GLU A 658
ILE A 307
MET A 633
1.75A
None