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'

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


1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
ASN A  95
GLU A  70
LEU B  97
PHE A  90
1.74A19.28
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_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 6
ASN A  53
TYR A  65
LEU A 137
PHE A  44
1.79A19.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ASN A 214
GLU A 288
LEU B 141
PHE A 291
1.51A20.00
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_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		1wyy E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ASN B 907
GLU B 900
TYR B 899
LEU B1181
1.42A19.33
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		1x7q HLA, A-11
(Homo
sapiens)		4 / 5
GLU A  55
GLU A  63
TYR A   7
TYR A 171
1.49A22.22
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)		1x7q HLA, A-11
(Homo
sapiens)		4 / 7
GLU A  55
GLU A  63
TYR A   7
TYR A 171
1.44A22.22
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)		1x7q HLA, A-11
(Homo
sapiens)		4 / 6
TYR A 171
GLU A  55
GLU A  63
TYR A   7
1.42A22.22
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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
TYR B1101
LEU B1030
PHE B1103
ARG B1088
1.67A20.29
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ajf ACE2
(Homo
sapiens)		4 / 5
GLU A 398
TYR A 521
PHE A 400
TYR A 207
1.55A17.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		2ajf ACE2
(Homo
sapiens)		4 / 6
TYR B 207
GLU B 398
TYR B 521
PHE B 400
1.63A17.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		2ajf ACE2
(Homo
sapiens)		4 / 6
TYR A 207
TYR A 521
LEU A 570
PHE A 400
1.46A17.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		2ajf ACE2
(Homo
sapiens)		4 / 6
TYR A 207
TYR A 521
LEU A 570
PHE A 400
1.60A17.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		2bx4 3C-LIKE PROTEINASE
(SARS-COV
Sin2774)		4 / 6
ARG A  88
TYR A 101
LEU A  30
PHE A 103
1.78A20.00
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_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		2c3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
TYR A 101
LEU A  30
PHE A 103
ARG A  88
1.66A20.00
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)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 9
ALA V  18
SER V  15
ALA V  20
SER N  11
ALA V  26
1.42A17.14
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 8
ALA Q  18
SER Q  15
ALA Q  20
SER U  11
ALA Q  26
1.44A17.14
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2hsx LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		4 / 6
ASN A  37
GLU A  30
LEU A  35
PHE A  20
1.78A17.14
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
GLU D 210
TYR D 225
LEU D 227
PHE D 221
1.68A21.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
GLU F 210
TYR F 225
LEU F 227
PHE F 221
1.65A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 6
ASN F  62
GLU F 145
LEU F 122
PHE F 176
1.60A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 6
ASN E  52
GLU E   3
GLU A  56
PHE A  55
1.59A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 6
TYR A 442
ASN A 479
TYR S 442
LEU S 478
1.66A20.00
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_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR B 207
GLU B 398
TYR B 521
PHE B 400
1.66A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
GLU B 402
GLU B 406
LEU B 450
TYR B 515
1.44A17.33
 ZN  B 901 (-2.8A)
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_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR B 207
TYR B 521
LEU B 570
PHE B 400
1.56A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
GLU A 398
TYR A 521
PHE A 400
TYR A 207
1.64A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR B 217
TYR B 521
LEU B 570
PHE B 400
1.68A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3e9s NSP3
(SARSr-CoV)		4 / 6
ASN A 147
TYR A  73
LEU A 133
PHE A  80
1.79A20.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
TYR D 237
ASN D 238
GLU A 270
LEU A 287
1.57A17.20
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
ASN D  95
GLU D  70
LEU C  97
PHE D  90
1.56A23.39
GOL  D 128 (-3.7A)
None
None
GOL  D 129 (-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_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
TYR B 101
LEU B  30
PHE B 103
ARG B  88
1.65A22.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3i6g HLA, A-2
(Homo
sapiens)		4 / 6
TYR D 171
GLU D  55
GLU D  63
TYR D   7
1.36A20.99
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3i6g HLA, A-2
(Homo
sapiens)		4 / 5
GLU D  55
GLU D  63
TYR D   7
TYR D 171
1.44A20.99
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3i6g HLA, A-2
(Homo
sapiens)		4 / 7
GLU D  55
GLU D  63
TYR D   7
TYR D 171
1.37A20.99
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3i6l HLA, A-24
(Homo
sapiens)		4 / 7
GLU D  55
GLU D  63
TYR D   7
TYR D 171
1.35A21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3i6l HLA, A-24
(Homo
sapiens)		4 / 5
GLU D  55
GLU D  63
TYR D   7
TYR D 171
1.43A21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3i6l HLA, A-24
(Homo
sapiens)		4 / 6
TYR D 171
GLU D  55
GLU D  63
TYR D   7
1.35A21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3sci ACE2
(Homo
sapiens)		4 / 6
TYR A 207
TYR A 521
LEU A 570
PHE A 400
1.46A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3sci ACE2
(Homo
sapiens)		4 / 5
GLU A 398
TYR A 521
PHE A 400
TYR A 207
1.59A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3sci ACE2
(Homo
sapiens)		4 / 6
TYR A 207
GLU A 398
TYR A 521
PHE A 400
1.60A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3scj ACE2
(Homo
sapiens)		4 / 7
GLU A 398
LEU A 570
PHE A 400
TYR A 207
1.49A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3scj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 6
TYR E 442
GLU A  35
LEU A  29
PHE A  32
1.65A19.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR A 207
TYR A 521
LEU A 570
PHE A 400
1.65A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
GLU A 398
LEU A 570
PHE A 400
TYR A 207
1.45A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR A 207
TYR A 521
LEU A 570
PHE A 400
1.51A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR B 207
GLU B 398
TYR B 521
PHE B 400
1.61A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
GLU B 398
TYR B 521
PHE B 400
TYR B 207
1.62A17.33
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		4 / 6
ASN A 129
GLU A  71
LEU B  76
PHE A  70
1.71A20.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 6
TYR A  84
TYR A  72
LEU A 151
PHE A  79
1.71A20.62
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
ASN B  16
GLU D 281
TYR D 284
LEU D 102
1.17A20.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5tl7 UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus)		4 / 6
ARG A  85
GLU A 113
TYR A  94
LEU A  83
1.68A13.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
TYR C 195
ASN C 189
GLU B 502
LEU C 224
1.78A14.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ALA A 853
SER A 798
ALA A 858
SER A 861
ALA A 854
1.39A14.57
ALA  A 853 ( 0.0A)
SER  A 798 ( 0.0A)
ALA  A 858 ( 0.0A)
SER  A 861 ( 0.0A)
ALA  A 854 ( 0.0A)
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_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ALA A 854
ALA A 853
SER A 798
ALA A 858
SER A 861
1.44A14.57
ALA  A 854 ( 0.0A)
ALA  A 853 ( 0.0A)
SER  A 798 ( 0.0A)
ALA  A 858 ( 0.0A)
SER  A 861 ( 0.0A)
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_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR C 195
ASN C 189
GLU A 502
LEU C 224
1.79A14.57
TYR  C 195 ( 1.3A)
ASN  C 189 ( 0.6A)
GLU  A 502 ( 0.6A)
LEU  C 224 ( 0.6A)
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_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
ASN A 147
TYR A  73
LEU A 133
PHE A  80
1.56A20.85
 NA  A 405 (-3.8A)
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_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		4 / 6
ASN A 907
GLU A 900
TYR A 899
LEU a  39
1.42A13.73
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)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ALA C 676
ALA C 658
SER C 659
ALA C 595
ALA C 639
1.36A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6acg ACE2
(Homo
sapiens)		4 / 6
TYR D 217
TYR D 521
LEU D 570
PHE D 400
1.62A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR C 195
ASN C 189
GLU A 502
LEU C 224
1.49A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLU B1013
LEU C1006
PHE C1024
ARG A1021
1.67A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6acj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 6
TYR C 442
GLU D  35
LEU D  29
PHE D  32
1.68A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ALA C 639
ALA C 676
ALA C 658
SER C 659
ALA C 595
1.46A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
GLU A1013
LEU C1006
PHE C1024
ARG B1021
1.56A14.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
TYR A  63
ARG A 620
LEU A  60
PHE A 262
1.70A14.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
ALA B 853
SER B 798
ALA B 858
SER B 861
ALA B 854
1.41A14.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
ALA B 858
SER B 861
ALA B 854
ALA B 853
SER B 798
1.43A14.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ASN A 189
GLU C 502
TYR C 410
LEU C 448
1.80A14.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6cs2 ACE2
(Homo
sapiens)		4 / 6
TYR D 385
GLU D  37
LEU D 391
PHE D 390
1.65A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6cs2 ACE2
(Homo
sapiens)		4 / 6
TYR D 207
GLU D 398
TYR D 521
PHE D 400
1.67A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6cs2 ACE2
(Homo
sapiens)		4 / 7
GLU D 398
TYR D 521
PHE D 400
TYR D 207
1.64A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6cs2 ACE2
(Homo
sapiens)		4 / 5
GLU D 398
TYR D 521
PHE D 400
TYR D 207
1.64A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 7
GLU A  55
GLU A  63
TYR A   7
TYR A 171
1.28A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 5
GLU A  55
GLU A  63
TYR A   7
TYR A 171
1.34A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 6
TYR A 171
GLU A  55
GLU A  63
TYR A   7
1.27A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		4 / 6
TYR A   7
GLU A 163
TYR A 159
LEU C   5
1.71A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6iex BETA-2-MICROGLOBULIN
(Homo
sapiens)		4 / 7
GLU B  36
TYR B  66
LEU B  39
ARG B  81
1.41A16.29
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		4 / 6
TYR A   7
GLU A 163
TYR A 159
LEU C   5
1.56A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6jyt HELICASE
(SARSr-CoV)		4 / 5
TYR B 217
ASN B 220
TYR B 198
PHE B 225
1.76A18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6jyt HELICASE
(SARSr-CoV)		4 / 6
GLU A 261
TYR A 324
LEU A 325
PHE A 262
1.50A18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6jyt HELICASE
(SARSr-CoV)		4 / 6
TYR B 217
ASN B 220
TYR B 198
PHE B 225
1.70A18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6jyt HELICASE
(SARSr-CoV)		4 / 7
GLU A 261
TYR A 324
LEU A 325
PHE A 262
1.66A18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 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_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m17 ACE2
(Homo
sapiens)		4 / 7
GLU D 639
LEU B 664
TYR B 649
ARG D 644
1.41A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)		6m17 ACE2
(Homo
sapiens)		4 / 6
TYR D 207
TYR D 521
LEU D 570
PHE D 400
1.65A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m17 ACE2
(Homo
sapiens)		4 / 6
ASN B 290
GLU B 435
GLU B 430
PHE B 428
1.31A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m18 ACE2
(Homo
sapiens)		4 / 5
GLU B 398
TYR B 521
PHE B 400
TYR B 207
1.58A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6m18 ACE2
(Homo
sapiens)		4 / 6
TYR B 207
TYR B 521
LEU B 570
PHE B 400
1.54A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ARG C1021
GLU A1013
LEU B1006
PHE B1024
1.74A13.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		4 / 7
GLU H  73
LEU H   4
PHE H  29
TYR H  80
1.58A19.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6nus NSP12
(SARSr-CoV)		4 / 6
ASN A 297
GLU A 277
GLU A 278
PHE A 321
1.71A15.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6vw1 ACE2
(Homo
sapiens)		4 / 7
GLU B 402
GLU B 406
LEU B 450
TYR B 515
1.46A17.47
 ZN  B 703 ( 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)		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_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ALA H 137
SER H 130
SER H 128
ALA H 125
1.60A18.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 8
ALA H 125
SER H 128
ALA H 136
SER H 130
ALA H 137
1.75A18.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA H 168
SER H 177
SER H 179
SER L 176
1.58A18.51
None
GOL  L 301 (-3.1A)
GOL  L 301 (-3.5A)
GOL  L 301 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ALA H 136
SER H 130
ALA H 137
ALA H 125
1.56A18.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
GLU C  87
TYR C  92
LEU C  79
TYR H  27
1.61A22.22
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_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_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
GLU L  87
TYR B  32
LEU B   4
PHE B  29
1.70A22.22
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)		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_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
GLU C  87
TYR H  32
LEU H   4
PHE H  29
1.70A22.22
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_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