Ligand ID: 377


Drugbank ID:
DB01043
(Memantine)


Indication:
For the treatment of moderate to severe dementia of the Alzheimer's type.

Get human targets for 377 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '377' 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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 6
ASN A 925
GLU A 918
TYR A 917
LEU A1200
1.68A18.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		4 / 7
GLU E 484
LEU E 452
PHE E 490
ARG E 454
1.52A21.95
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.64A21.95
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.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		4 / 5
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.68A21.95
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.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		4 / 6
ARG E 454
GLU E 484
LEU E 452
PHE E 490
1.61A21.95
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.66A21.95
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		4 / 6
TYR F 505
ASN F 501
GLU F 406
TYR F 495
1.73A21.95
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.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		4 / 5
TYR F 505
ASN F 501
GLU F 406
TYR F 495
1.78A21.95
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m17 ACE2
RECEPTOR BINDING
DOMAIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU B  37
LEU B 351
1.74A21.95
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m71 NSP12
(SARS-CoV-2)		4 / 6
TYR A 653
ASN A 657
TYR A 530
LEU A 527
1.69A15.60
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m71 NSP12
(SARS-CoV-2)		4 / 7
GLU A 277
TYR A 273
PHE A 275
ARG A 279
1.75A15.60
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m71 NSP12
(SARS-CoV-2)		4 / 6
TYR A 653
ASN A 657
TYR A 530
LEU A 527
1.62A15.60
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m71 NSP12
(SARS-CoV-2)		4 / 6
ASN A 138
GLU A 796
TYR A 163
PHE A 134
1.72A15.60
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m71 NSP12
(SARS-CoV-2)		4 / 6
TYR A 653
ASN A 657
TYR A 530
LEU A 527
1.64A15.60
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
ALA A 893
SER A 884
ALA C 713
SER C 711
ALA C 706
1.36A13.59
None
None
NAG  C1305 (-3.4A)
None
NAG  C1305 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 8
ALA A 893
SER A 884
ALA C 713
SER C 711
ALA C 706
1.47A13.59
None
None
NAG  C1305 (-3.4A)
None
NAG  C1305 ( 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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLU C1031
LEU B1024
PHE B1042
ARG A1039
1.42A13.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
ASN A 914
TYR A1067
LEU A 916
PHE A 718
1.75A13.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
ARG A1039
GLU C1031
LEU B1024
PHE B1042
1.43A13.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vxs NSP3
(SARS-CoV-2)		5 / 8
ALA B 124
ALA B  38
ALA B 129
SER B 128
SER B 139
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vxs NSP3
(SARS-CoV-2)		5 / 8
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vxs NSP3
(SARS-CoV-2)		5 / 8
ALA B  38
ALA B 129
SER B 128
SER B 139
ALA B 124
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vxs NSP3
(SARS-CoV-2)		5 / 9
ALA B  38
ALA B 129
SER B 128
SER B 139
ALA B 124
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vxs NSP3
(SARS-CoV-2)		5 / 8
ALA A  38
ALA A 129
SER A 128
SER A 139
ALA A 124
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR C 505
ASN C 501
GLU C 406
TYR C 495
1.67A13.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
TYR C 505
ASN C 501
GLU C 406
TYR C 495
1.69A13.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
ALA A1016
ALA B1016
ALA B1020
ALA A1020
SER A1021
1.45A13.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 8
ALA A1020
SER A1021
ALA A1016
ALA B1016
ALA B1020
1.46A13.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 5
TYR C 505
ASN C 501
GLU C 406
TYR C 495
1.73A19.81
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 6
TYR C 505
ASN C 501
GLU C 406
TYR C 495
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 6
TYR C 505
ASN C 501
GLU C 406
TYR C 495
1.72A19.81
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 6
TYR C 505
ASN C 501
GLU C 406
TYR C 495
1.66A19.81
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 6
TYR C 505
ASN C 501
GLU C 406
TYR C 495
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w4b NSP9
(SARS-CoV-2)		4 / 6
ASN A  96
GLU A  71
LEU B  98
PHE A  91
1.67A17.00
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 9
ALA A6832
SER A6831
ALA A6997
SER A6998
ALA A6843
1.75A17.86
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 8
ALA A6881
ALA B4324
SER A6903
SER A6872
1.74A17.86
None
None
None
SAM  A7104 (-4.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ALA A6832
SER A7038
SER A7041
ALA A6843
1.51A17.86
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ALA A6832
ALA A6997
SER A6998
ALA A6843
1.55A17.86
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ALA A6881
ALA A6877
SER A6903
ALA A6870
1.34A17.86
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 9
ALA A6997
SER A6998
ALA A6843
ALA A6832
SER A6831
1.76A17.86
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 8
ALA B4324
SER B4325
ALA A6877
SER A6872
1.74A16.72
None
None
None
SAM  A7104 (-4.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ALA A6832
SER A6831
ALA A6997
SER A6999
1.54A17.86
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6872
ALA A6870
SER A6903
ALA A6881
1.65A17.86
SAM  A7104 (-4.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
ALA A6832
SER A6831
ALA A6997
SER A6998
ALA A6843
1.72A17.86
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ALA A6843
ALA A6832
SER A6831
ALA A6997
1.74A17.86
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
ALA A6843
ALA A6832
SER A6831
ALA A6997
SER A6998
1.75A17.86
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 8
SER A6872
ALA B4324
SER B4325
ALA A6881
1.67A17.86
SAM  A7104 (-4.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ALA A6870
ALA A6877
SER A6872
ALA A6881
1.68A17.86
None
None
SAM  A7104 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ALA A6802
SER A7041
ALA A6832
ALA A6997
1.50A17.86
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A  56
ALA A  27
ALA A  89
SER A  84
1.73A19.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A  38
ALA A 134
ALA A 129
SER A 139
1.72A19.73
AMP  A 201 ( 3.9A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B  38
ALA B 134
ALA B 129
SER B 139
1.71A19.73
MES  B 201 ( 3.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B  38
SER B 128
ALA B 112
ALA B  39
1.38A19.73
MES  B 201 ( 3.4A)
MES  B 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		5 / 8
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
1.65A19.73
None
AMP  A 201 ( 3.9A)
AMP  A 201 ( 3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A  39
SER A  80
ALA A 112
ALA A  38
1.49A19.73
None
None
None
AMP  A 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B  38
ALA B 129
SER B 139
ALA B 124
1.71A19.73
MES  B 201 ( 3.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		5 / 8
ALA A  38
ALA A 129
SER A 128
SER A 139
ALA A 124
1.75A19.73
AMP  A 201 ( 3.9A)
AMP  A 201 ( 3.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER B 139
SER B 128
ALA B  38
ALA B 124
1.57A19.73
None
MES  B 201 ( 4.5A)
MES  B 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B  50
ALA B  39
SER B  65
ALA B  52
1.72A19.73
MES  B 201 ( 3.7A)
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		5 / 9
ALA B 124
ALA B  38
ALA B 129
SER B 128
SER B 139
1.76A19.73
None
MES  B 201 ( 3.4A)
None
MES  B 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B 124
SER B 139
SER B 128
ALA B  38
1.64A19.73
None
None
MES  B 201 ( 4.5A)
MES  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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A  38
ALA A  39
SER A  80
ALA A 112
1.61A19.73
AMP  A 201 ( 3.9A)
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		5 / 9
ALA A 129
SER A 128
SER A 139
ALA A 124
ALA A  38
1.80A19.73
AMP  A 201 ( 3.4A)
None
None
None
AMP  A 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A 129
SER A 139
ALA A 154
ALA A 124
1.28A19.73
AMP  A 201 ( 3.4A)
None
AMP  A 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B  39
ALA B  38
SER B 128
ALA B 112
1.46A19.73
None
MES  B 201 ( 3.4A)
MES  B 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A 124
ALA A 129
SER A 139
ALA A 154
1.34A19.73
None
AMP  A 201 ( 3.4A)
None
AMP  A 201 ( 4.5A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		5 / 8
ALA B 124
ALA B  38
ALA B 129
SER B 128
SER B 139
1.63A19.73
None
MES  B 201 ( 3.4A)
None
MES  B 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A 154
ALA A 124
ALA A 129
SER A 139
1.30A19.73
AMP  A 201 ( 4.5A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B 134
ALA B 129
SER B 139
ALA B  38
1.54A19.73
None
None
None
MES  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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A 129
SER A 139
ALA A 124
ALA A  38
1.60A19.73
AMP  A 201 ( 3.4A)
None
None
AMP  A 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A  38
SER A 128
ALA A 112
ALA A  39
1.37A19.73
AMP  A 201 ( 3.9A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B 129
SER B 139
ALA B 124
ALA B  38
1.61A19.73
None
None
None
MES  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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A 134
ALA A 129
SER A 139
ALA A  38
1.59A19.73
None
AMP  A 201 ( 3.4A)
None
AMP  A 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B 124
ALA B 129
SER B 139
ALA B 154
1.31A19.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B  39
SER B  80
ALA B 112
ALA B  38
1.50A19.73
None
None
None
MES  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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B 154
ALA B 124
ALA B 129
SER B 139
1.28A19.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		5 / 9
ALA B  38
ALA B 129
SER B 128
SER B 139
ALA B 124
1.77A19.73
MES  B 201 ( 3.4A)
None
MES  B 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER A 139
SER A 128
ALA A  38
ALA A 124
1.61A19.73
None
None
AMP  A 201 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A  39
ALA A  38
SER A 128
ALA A 112
1.45A19.73
None
AMP  A 201 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A  21
SER A   7
SER A   5
ALA A  27
1.67A19.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		5 / 9
ALA A  38
ALA A 129
SER A 128
SER A 139
ALA A 124
1.79A19.73
AMP  A 201 ( 3.9A)
AMP  A 201 ( 3.4A)
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		5 / 9
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
1.79A19.73
None
AMP  A 201 ( 3.9A)
AMP  A 201 ( 3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A 112
SER A 128
ALA A  38
ALA A 124
1.64A19.73
None
None
AMP  A 201 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B 112
SER B 128
ALA B  38
ALA B 124
1.64A19.73
None
MES  B 201 ( 4.5A)
MES  B 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B 129
SER B 139
ALA B 154
ALA B 124
1.27A19.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ALA A6832
SER A6831
ALA A6997
SER A6999
1.61A17.83
None
None
None
FMT  A7104 ( 2.9A)
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		5 / 9
ALA A6832
SER A6831
ALA A6997
SER A6998
ALA A6843
1.79A17.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ALA A6802
SER A7041
ALA A6832
ALA A6997
1.48A17.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
SER A6872
ALA B4324
SER B4325
ALA A6881
1.70A17.83
SAM  A7102 ( 4.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER A6872
ALA A6870
SER A6903
ALA A6881
1.57A17.83
SAM  A7102 ( 4.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ALA C6843
ALA C6832
ALA C6997
SER C6998
1.55A17.83
None
FMT  C7111 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ALA B4276
ALA D4276
ALA D4279
ALA B4279
1.70A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ALA D4277
ALA D4273
ALA B4279
ALA D4279
1.65A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ALA B4279
ALA D4279
ALA D4276
ALA B4276
1.69A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ALA A6832
ALA A6997
SER A6998
ALA A6843
1.56A17.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
ALA C6881
ALA D4324
SER C6903
SER C6872
1.65A17.83
None
None
None
SAM  C7105 ( 4.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ALA C6802
SER C7041
ALA C6832
ALA C6997
1.47A17.83
None
None
FMT  C7111 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ALA D4277
ALA D4279
ALA B4279
ALA D4273
1.49A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
ALA D4324
SER D4325
ALA C6877
SER C6872
1.76A17.59
None
None
None
SAM  C7105 ( 4.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		5 / 8
ALA A6832
SER A6831
ALA A6997
SER A6998
ALA A6843
1.77A17.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ALA D4279
ALA B4279
ALA B4276
ALA D4276
1.68A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ALA D4279
ALA B4279
ALA D4273
ALA D4277
1.48A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ALA D4273
ALA B4279
ALA D4279
ALA D4277
1.62A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ALA D4276
ALA B4276
ALA B4279
ALA D4279
1.68A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ALA B4273
ALA D4279
ALA B4279
ALA B4277
1.69A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ALA C6832
SER C6831
ALA C6997
SER C6999
1.64A17.83
FMT  C7111 ( 3.6A)
None
None
FMT  C7108 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ALA C6881
ALA C6877
SER C6903
ALA C6870
1.28A17.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ALA C6843
ALA C6832
ALA C6997
SER C6999
1.72A17.83
None
FMT  C7111 ( 3.6A)
None
FMT  C7108 ( 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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
SER C6872
ALA D4324
SER D4325
ALA C6881
1.70A17.83
SAM  C7105 ( 4.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER C6872
ALA C6870
SER C6903
ALA C6881
1.56A17.83
SAM  C7105 ( 4.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
ALA A6881
ALA B4324
SER A6903
SER A6872
1.68A17.83
None
None
None
SAM  A7102 ( 4.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ALA C6832
ALA C6997
SER C6998
ALA C6843
1.59A17.83
FMT  C7111 ( 3.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ALA B4277
ALA B4279
ALA D4279
ALA B4273
1.59A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ALA A6881
ALA A6877
SER A6903
ALA A6870
1.26A17.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ALA A 149
ALA A 135
ALA A 131
ALA A 153
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 6
ASN B 146
TYR B  72
LEU B 132
PHE B  79
1.79A16.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ALA C 149
ALA C 135
ALA C 131
ALA C 153
1.16A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
GLU C 252
TYR C 305
PHE C 258
TYR C 251
1.76A16.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ALA C 131
ALA C 153
ALA C 149
ALA C 135
1.23A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_B_377B401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 5
TYR C 251
GLU C 252
TYR C 305
PHE C 258
1.72A16.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 5
TYR C 251
GLU C 252
TYR C 305
PHE C 258
1.71A16.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ALA B 149
ALA B 135
ALA B 131
ALA B 153
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ALA C 153
ALA C 149
ALA C 135
ALA C 131
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 6
ASN B 146
TYR B  72
LEU B 132
PHE B  79
1.80A16.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 5
GLU C 252
TYR C 305
PHE C 258
TYR C 251
1.73A16.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 9
ALA A  28
SER A  13
ALA A  16
ALA A  54
ALA A  30
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 8
ALA A  30
ALA A  28
SER A  13
ALA A  16
ALA A  54
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 9
ALA A  16
ALA A  28
SER A  46
ALA A  30
ALA A  54
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 8
ALA A  54
ALA A  16
ALA A  28
SER A  46
ALA A  30
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wcf NSP3
(SARS-CoV-2)		5 / 9
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
1.79A
None
MES  A 201 (-3.6A)
None
MES  A 201 (-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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wcf NSP3
(SARS-CoV-2)		5 / 9
ALA A  38
ALA A 129
SER A 128
SER A 139
ALA A 124
1.80A
MES  A 201 (-3.6A)
None
MES  A 201 (-4.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wcf NSP3
(SARS-CoV-2)		4 / 8
ALA A 129
SER A 139
ALA A 154
ALA A 124
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wcf NSP3
(SARS-CoV-2)		5 / 8
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
1.66A
None
MES  A 201 (-3.6A)
None
MES  A 201 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wcf NSP3
(SARS-CoV-2)		4 / 8
ALA A 154
ALA A 124
ALA A 129
SER A 139
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wen NSP3
(SARS-CoV-2)		5 / 9
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wen NSP3
(SARS-CoV-2)		5 / 8
ALA A  38
ALA A 129
SER A 128
SER A 139
ALA A 124
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wen NSP3
(SARS-CoV-2)		4 / 8
ALA A 124
ALA A 129
SER A 139
ALA A 154
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wen NSP3
(SARS-CoV-2)		5 / 8
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wen NSP3
(SARS-CoV-2)		5 / 9
ALA A  38
ALA A 129
SER A 128
SER A 139
ALA A 124
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wen NSP3
(SARS-CoV-2)		4 / 8
ALA A 154
ALA A 124
ALA A 129
SER A 139
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wen NSP3
(SARS-CoV-2)		4 / 8
ALA A 129
SER A 139
ALA A 154
ALA A 124
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wey NSP3
(SARS-CoV-2)		4 / 8
ALA A 333
SER A 343
ALA A 358
ALA A 328
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wey NSP3
(SARS-CoV-2)		5 / 9
ALA A 242
ALA A 333
SER A 332
SER A 343
ALA A 328
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wey NSP3
(SARS-CoV-2)		5 / 9
ALA A 328
ALA A 242
ALA A 333
SER A 332
SER A 343
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wey NSP3
(SARS-CoV-2)		5 / 8
ALA A 242
ALA A 333
SER A 332
SER A 343
ALA A 328
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wey NSP3
(SARS-CoV-2)		5 / 8
ALA A 328
ALA A 242
ALA A 333
SER A 332
SER A 343
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wey NSP3
(SARS-CoV-2)		4 / 8
ALA A 328
ALA A 333
SER A 343
ALA A 358
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wey NSP3
(SARS-CoV-2)		4 / 8
ALA A 358
ALA A 328
ALA A 333
SER A 343
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ALA A6881
ALA A6877
SER A6903
ALA A6870
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
ALA A6843
ALA A6832
SER A6831
ALA A6997
SER A6998
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ALA C6881
ALA C6877
SER C6903
ALA C6870
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
ALA A6832
SER A6831
ALA A6997
SER A6998
ALA A6843
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 9
ALA A6997
SER A6998
ALA A6843
ALA A6832
SER A6831
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 9
ALA A6832
SER A6831
ALA A6997
SER A6998
ALA A6843
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 6
TYR A 172
ASN B  77
LEU A 161
PHE A  66
1.65A18.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 6
TYR A 172
ASN B  77
LEU A 161
PHE A  66
1.71A18.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 6
ASN B  77
TYR A  87
LEU A  64
PHE A  66
1.72A18.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ALA A6881
ALA A6877
SER A6903
ALA A6870
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wkq NSP16
(SARS-CoV-2)		5 / 9
ALA A6997
SER A6998
ALA A6843
ALA A6832
SER A6831
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ALA C6881
ALA C6877
SER C6903
ALA C6870
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wkq NSP16
(SARS-CoV-2)		5 / 8
ALA A6832
SER A6831
ALA A6997
SER A6998
ALA A6843
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
GLU A 211
TYR A 226
LEU A 228
PHE A 222
1.79A21.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA B 154
ALA B 124
ALA B 129
SER B 139
1.27A
APR  B 201 (-4.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA D 129
SER D 139
ALA D 154
ALA D 124
1.25A
APR  D 201 (-3.7A)
None
APR  D 201 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA D 154
ALA D 124
ALA D 129
SER D 139
1.26A
APR  D 201 (-4.4A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA A 154
ALA A 124
ALA A 129
SER A 139
1.29A
APR  A 201 (-4.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 8
ALA C 124
ALA C  38
ALA C 129
SER C 128
SER C 139
1.75A
None
APR  C 201 (-3.4A)
APR  C 201 (-3.7A)
APR  C 201 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA A 129
SER A 139
ALA A 154
ALA A 124
1.28A
APR  A 201 (-3.7A)
None
APR  A 201 (-4.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA B 129
SER B 139
ALA B 154
ALA B 124
1.26A
APR  B 201 (-3.7A)
None
APR  B 201 (-4.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 8
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
1.73A
None
APR  A 201 (-3.5A)
APR  A 201 (-3.7A)
APR  A 201 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA C 154
ALA C 124
ALA C 129
SER C 139
1.29A
APR  C 201 (-4.5A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA C 129
SER C 139
ALA C 154
ALA C 124
1.27A
APR  C 201 (-3.7A)
None
APR  C 201 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 8
ALA D 124
ALA D  38
ALA D 129
SER D 128
SER D 139
1.73A
None
APR  D 201 (-3.2A)
APR  D 201 (-3.7A)
APR  D 201 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 8
ALA B 124
ALA B  38
ALA B 129
SER B 128
SER B 139
1.74A
None
APR  B 201 (-3.3A)
APR  B 201 (-3.7A)
APR  B 201 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ALA A6881
ALA A6877
SER A6903
ALA A6870
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wqd NSP8
(SARS-CoV-2)		4 / 8
ALA B 125
ALA B 191
ALA B 152
ALA B 126
1.29A
None
None
EDO  B 302 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wqd NSP8
(SARS-CoV-2)		4 / 8
ALA D 125
ALA D 191
ALA D 152
ALA D 126
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
ALA A 149
ALA A 135
ALA A 131
ALA A 153
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
ALA A 131
ALA A 153
ALA A 149
ALA A 135
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA A 211
SER A 284
ALA A 206
ALA A 210
1.69A20.39
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.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.68A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.66A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.63A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.62A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
TYR A 505
ASN A 501
GLU A 406
TYR A 495
1.75A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.65A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR A 505
ASN A 501
GLU A 406
TYR A 495
1.70A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR A 505
ASN A 501
GLU A 406
TYR A 495
1.74A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLU A 484
LEU A 452
PHE A 490
ARG A 454
1.69A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR A 505
ASN A 501
GLU A 406
TYR A 495
1.71A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 453
1.80A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.65A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.61A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 453
1.79A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
ARG E 454
GLU E 484
LEU E 452
PHE E 490
1.76A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.63A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.60A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.66A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLU E 484
LEU E 452
PHE E 490
ARG E 454
1.66A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.65A21.81
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.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.68A21.81
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR A 505
ASN A 501
GLU A 406
TYR A 495
1.64A21.81
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.64A21.81
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR A 505
ASN A 501
GLU A 406
TYR A 495
1.65A21.81
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR A 505
ASN A 501
GLU A 406
TYR A 495
1.62A21.81
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.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
TYR A 505
ASN A 501
GLU A 406
TYR A 495
1.67A21.81
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR A 505
ASN A 501
GLU A 406
TYR A 495
1.63A21.81
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.62A21.81
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
TYR E 505
ASN E 501
GLU E 406
TYR E 495
1.66A21.81
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ALA D 129
SER D 139
ALA D 154
ALA D 124
1.29A
EDO  D 205 (-4.5A)
None
EDO  D 208 (-4.2A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA A  38
ALA A 129
SER A 128
SER A 139
ALA A 124
1.78A
EDO  A 202 (-3.3A)
None
EDO  A 202 (-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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA B  38
ALA B 129
SER B 128
SER B 139
ALA B 124
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA C  38
ALA C 129
SER C 128
SER C 139
ALA C 124
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA B 124
ALA B  38
ALA B 129
SER B 128
SER B 139
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA C 124
ALA C  38
ALA C 129
SER C 128
SER C 139
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA B  38
ALA B 129
SER B 128
SER B 139
ALA B 124
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA C  38
ALA C 129
SER C 128
SER C 139
ALA C 124
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ALA B 129
SER B 139
ALA B 154
ALA B 124
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA E 124
ALA E  38
ALA E 129
SER E 128
SER E 139
1.64A
None
EPE  E 202 (-3.3A)
None
EPE  E 202 (-4.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
1.65A
None
EDO  A 202 (-3.3A)
None
EDO  A 202 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA D  38
ALA D 129
SER D 128
SER D 139
ALA D 124
1.76A
EDO  D 205 (-3.5A)
EDO  D 205 (-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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA B 124
ALA B  38
ALA B 129
SER B 128
SER B 139
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA E  38
ALA E 129
SER E 128
SER E 139
ALA E 124
1.77A
EPE  E 202 (-3.3A)
None
EPE  E 202 (-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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA E 124
ALA E  38
ALA E 129
SER E 128
SER E 139
1.77A
None
EPE  E 202 (-3.3A)
None
EPE  E 202 (-4.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA D 124
ALA D  38
ALA D 129
SER D 128
SER D 139
1.62A
None
EDO  D 205 (-3.5A)
EDO  D 205 (-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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA C 124
ALA C  38
ALA C 129
SER C 128
SER C 139
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA C 129
SER C 128
SER C 139
ALA C 124
ALA C  38
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
1.79A
None
EDO  A 202 (-3.3A)
None
EDO  A 202 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA D  38
ALA D 129
SER D 128
SER D 139
ALA D 124
1.75A
EDO  D 205 (-3.5A)
EDO  D 205 (-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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA D 124
ALA D  38
ALA D 129
SER D 128
SER D 139
1.76A
None
EDO  D 205 (-3.5A)
EDO  D 205 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
1.80A
None
APR  A 201 (-3.4A)
APR  A 201 ( 3.7A)
APR  A 201 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA D 124
ALA D  38
ALA D 129
SER D 128
SER D 139
1.80A
None
APR  D 201 (-3.3A)
APR  D 201 (-3.4A)
APR  D 201 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA E 124
ALA E  38
ALA E 129
SER E 128
SER E 139
1.79A
None
APR  E 201 (-3.3A)
APR  E 201 (-3.5A)
APR  E 201 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA B 124
ALA B  38
ALA B 129
SER B 128
SER B 139
1.80A
None
APR  B 201 (-3.4A)
APR  B 201 (-3.6A)
APR  B 201 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ALA A 129
SER A 139
ALA A 154
ALA A 124
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA C 124
ALA C  38
ALA C 129
SER C 128
SER C 139
1.69A
None
MES  C 201 (-3.5A)
None
MES  C 201 (-4.6A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ALA B 129
SER B 139
ALA B 154
ALA B 124
1.25A
None
None
EDO  B 202 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ALA C 129
SER C 139
ALA C 154
ALA C 124
1.25A
None
None
EDO  C 206 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA B 124
ALA B  38
ALA B 129
SER B 128
SER B 139
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA A 124
ALA A  38
ALA A 129
SER A 128
SER A 139
1.71A
None
MES  A 201 (-3.5A)
None
MES  A 201 (-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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ALA C 154
ALA C 124
ALA C 129
SER C 139
1.25A
EDO  C 206 (-4.4A)
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA B 129
SER B 128
SER B 139
ALA B 124
ALA B  38
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ALA A 154
ALA A 124
ALA A 129
SER A 139
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA B 124
ALA B  38
ALA B 129
SER B 128
SER B 139
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
ALA B  38
ALA B 129
SER B 128
SER B 139
ALA B 124
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ALA B 154
ALA B 124
ALA B 129
SER B 139
1.28A
EDO  B 202 (-4.3A)
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ALA B  38
ALA B 129
SER B 128
SER B 139
ALA B 124
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		7btf NSP12
(SARS-CoV-2)		4 / 7
GLU A 144
TYR A  69
LEU A 119
TYR A 122
1.69A15.60
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		7btf NSP12
(SARS-CoV-2)		4 / 6
ASN A 297
GLU A 277
GLU A 278
PHE A 321
1.65A15.60
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
TYR A 653
ASN A 657
TYR A 530
LEU A 527
1.66A15.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
ASN A 297
GLU A 277
GLU A 278
PHE A 321
1.62A15.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
GLU A 136
GLU A 796
LEU A 786
TYR A 163
1.48A15.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 9
ALA A 382
ALA A 383
SER A 384
ALA B 125
ALA A 399
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
TYR A 653
ASN A 657
TYR A 530
LEU A 527
1.61A15.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
ASN A 297
GLU A 277
GLU A 278
PHE A 321
1.62A15.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
TYR A 719
ASN A 722
LEU A 727
PHE A 741
1.58A15.22
None