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-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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 8
SER B 147
SER B 144
TYR B 126
GLU B 166
1.52A22.70
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A   1
SER B 139
HIS B 172
GLU B 166
1.42A22.41
None
None
I12  B2145 (-4.1A)
I12  B2145 (-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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER B1147
SER B1144
TYR B1126
GLU B1166
1.70A23.72
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.58A22.93
None
AZP  A 307 (-3.4A)
None
AZP  A 307 (-3.5A)
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		2ahm REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 8
SER C  62
SER C  59
ILE C  44
GLU C  55
1.66A13.48
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2c3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A  65
SER A  62
HIS A  80
ILE A  59
1.49A22.93
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
SER B 156
HIS B 172
TYR B 113
GLU B 168
1.50A21.97
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.70A22.93
None
WR1  A 601 (-3.5A)
None
WR1  A 601 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 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)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
HIS A 163
TYR A 126
1.69A22.59
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.61A22.93
None
HSV  B   6 (-3.5A)
None
HSV  B   6 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 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)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.61A23.17
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.71A23.17
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.61A22.93
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		4 / 8
TRP B  60
SER B  57
SER B  61
ILE B   1
1.53A12.26
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)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
HIS A 163
TYR A 126
1.68A22.93
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER B 147
SER B 144
HIS B 163
TYR B 126
1.59A23.17
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.62A22.93
None
ECC  H   5 ( 3.5A)
None
ECC  H   5 ( 4.7A)
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)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
SER A 156
HIS A 172
TYR A 113
GLU A 168
1.49A19.78
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.68A23.13
None
23H  A 401 ( 3.7A)
None
23H  A 401 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 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)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		4 / 8
SER B 156
HIS B 172
TYR B 113
GLU B 168
1.28A22.00
None
None
None
DMS  B 906 ( 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)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.68A23.85
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
SER D 156
HIS D 172
TYR D 113
GLU D 168
1.49A22.00
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		5tl7 UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus)		4 / 8
SER C  91
HIS C  90
TYR C  94
ILE C  93
1.49A11.70
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
SER D 156
HIS D 172
TYR D 113
GLU D 168
1.58A21.78
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
SER A 156
HIS A 172
TYR A 113
GLU A 168
1.63A21.97
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
SER A 607
HIS A 611
TYR A 598
ILE A 637
1.56A16.23
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6m1d ACE2
SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
SER D 626
SER D 623
ILE C 345
GLU D 723
1.43A22.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
SER C 561
TYR C 480
ILE C 183
TRP C 176
1.50A20.54
None