Ligand ID: 2C0


Drugbank ID:
DB00181
(Baclofen)


Indication:
For the alleviation of signs and symptoms of spasticity resulting from multiple sclerosis, particularly for the relief of flexor spasms and concomitant pain, clonus, and muscular rigidity.

Get human targets for 2C0 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '2C0' 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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		5r7y 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.59A21.18
None
DMS  A1005 (-3.7A)
None
DMS  A1005 (-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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
HIS A 163
TYR A 126
1.74A20.83
None
ELL  D   3 (-3.8A)
ELL  D   3 (-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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.67A20.83
None
ELL  D   3 (-3.8A)
None
ELL  D   3 (-3.7A)
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.69A21.18
None
ELL  D   3 (-3.7A)
None
ELL  D   3 ( 3.6A)
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
HIS A 163
TYR A 126
1.76A21.18
None
ELL  D   3 (-3.7A)
ELL  D   3 (-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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER D 147
SER D 144
TYR D 126
GLU D 166
1.69A21.18
None
3WL  D 401 ( 3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER C 147
SER C 144
TYR C 126
GLU C 166
1.74A21.18
None
3WL  C 401 (-3.7A)
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER B 147
SER B 144
HIS B 163
TYR B 126
1.72A21.18
None
3WL  B 401 (-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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER C 147
SER C 144
HIS C 163
TYR C 126
1.74A21.18
None
3WL  C 401 (-3.7A)
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER D 147
SER D 144
HIS D 163
TYR D 126
1.74A21.18
None
3WL  D 401 ( 3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
SER B  78
SER B  79
HIS A  59
TYR B 112
1.49A14.11
None
ZN  B 201 ( 4.1A)
ZN  B 201 ( 3.3A)
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.71A21.18
None
X77  A 401 (-3.4A)
None
X77  A 401 (-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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6wiq NSP7
(SARS-CoV-2)		4 / 8
SER A  57
SER A  54
ILE A  39
GLU A  50
1.80A13.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER C  78
SER C  79
HIS B  59
TYR C 112
1.59A14.11
None
ZN  C 201 (-3.5A)
ZN  C 201 (-3.3A)
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER D  78
SER D  79
HIS C  59
TYR D 112
1.54A14.11
None
ZN  D 202 ( 4.1A)
ZN  D 202 (-3.2A)
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER A  78
SER A  79
HIS D  59
TYR A 112
1.55A14.11
None
ZN  A 201 (-3.3A)
ZN  A 201 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER B  78
SER B  79
HIS A  59
TYR B 112
1.57A14.11
None
ZN  B 202 (-3.2A)
ZN  B 202 (-2.6A)
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.76A21.18
None
U5G  A 401 (-4.4A)
None
U5G  A 401 (-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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
HIS A 163
TYR A 126
1.70A21.18
None
U5G  A 401 (-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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
HIS A 163
TYR A 126
1.65A21.83
None
DMS  A 403 ( 2.9A)
DMS  A 403 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.67A21.18
None
PJE  C   5 ( 4.1A)
None
PJE  C   5 (-3.7A)
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
SER A 147
SER A 144
HIS A 163
TYR A 126
1.76A21.18
None
PJE  C   5 ( 4.1A)
PJE  C   5 (-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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		7btf NSP7
(SARS-CoV-2)		4 / 8
SER C  57
SER C  54
ILE C  39
GLU C  50
1.72A13.00
None