Ligand ID: 377


Drugbank ID:
DB01043
(Memantine)


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

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '377' AND SARS-RELATED PROTEINS ONLY

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

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		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_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_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_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_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)		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_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_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_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_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