Ligand ID: TXC


Drugbank ID:
DB00577
(Valaciclovir)


Indication:
For the treatment or suppression of cold sores (herpes labialis), herpes zoster (shingles), genital herpes in immunocompetent individuals, and recurrent genital herpes in HIV-infected individuals.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TXC' AND SARS-COV-2 / COVID-19 STRUCTURES

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

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6m71 NSP12
(SARS-CoV-2)		5 / 10
TYR A 619
ASN A 781
ALA A 777
GLN A 789
ASN A 705
1.79A19.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU A 189
LEU A 216
GLU A 191
ALA A 264
SER A 221
1.79A16.80
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
TYR A1007
VAL A1008
ALA A 766
GLN C 314
ASN A 764
1.78A16.77
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6vxs NSP3
(SARS-CoV-2)		5 / 10
TYR A  68
TYR A  42
VAL A  41
ASN A  40
ASN A  37
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
VAL B1096
ALA B1078
GLN C 913
PRO B1079
ASN B1108
1.74A17.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
HIS A 519
LEU B 984
LEU B 981
ASP B 985
1.67A16.74
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
VAL A1096
ALA A1078
GLN B 913
PRO A1079
ASN A1108
1.71A17.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
HIS B 145
ALA A  90
HIS A  59
SER B  78
ASP B  82
1.64A14.09
 ZN  B 201 ( 3.3A)
None
ZN  B 201 ( 3.3A)
None
ZN  B 201 ( 2.4A)
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6w02 NSP3
(SARS-CoV-2)		5 / 10
TYR B  68
TYR B  42
VAL B  41
ASN B  40
ASN B  37
1.72A16.80
None
None
None
APR  B 201 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 5
HIS B  89
LEU B  80
LEU B 150
ASP B  76
1.78A19.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 5
HIS A  89
LEU A  80
LEU A 150
ASP A  76
1.76A19.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 10
VAL B 160
ALA B 162
GLN A  63
PRO B 183
ASN B 118
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
HIS B 145
ALA A  90
HIS A  59
SER B  78
ASP B  82
1.54A13.45
 ZN  B 202 (-3.3A)
None
ZN  B 202 (-2.6A)
None
ZN  B 202 (-2.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 10
VAL D 160
ALA D 162
GLN C  63
PRO D 183
ASN D 118
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU C 164
LEU C 140
ARG C 141
ALA C 134
SER C 166
1.79A17.65
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
GLN A 661
PHE A 348
GLU A 350
ALA A 311
SER A 681
1.73A19.29
None