Ligand ID: DP0


Drugbank ID:
DB00280
(Disopyramide)


Indication:
For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, ventricular pre-excitation and cardiac dysrhythmias. It is a Class Ia antiarrhythmic drug.

Get human targets for DP0 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'DP0' 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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6lzg SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE B 347
VAL B 401
ILE B 402
PHE B 429
ALA B 397
1.38A23.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		5 / 12
PHE E 515
VAL E 395
ILE E 358
PHE E 342
PHE E 374
1.72A21.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 112
GLU A 290
SER C   1
SER A 139
TYR A 126
1.78A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE C 150
VAL C  13
PHE A 150
ALA C   7
SER C 113
1.71A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE A 150
VAL A  13
PHE C 150
ALA A   7
SER A 113
1.74A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE D 150
VAL D  13
PHE B 150
ALA D   7
SER D 113
1.73A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE B 150
VAL B  13
PHE D 150
ALA B   7
SER B 113
1.75A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE D  75
PHE D 111
ALA D 139
SER D  79
TYR D 113
1.60A20.00
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE D  75
PHE D 111
ALA D 139
SER D  79
TYR D 113
1.63A20.00
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m71 NSP12
(SARS-CoV-2)		5 / 12
PHE A 745
LEU A 723
GLU A 744
ARG A 726
ALA A  43
1.70A11.57
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m71 NSP12
(SARS-CoV-2)		5 / 12
VAL A 785
PHE A 471
PHE A 741
LEU A 727
GLN A 468
1.75A11.57
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6m71 NSP12
(SARS-CoV-2)		5 / 12
PHE A 745
LEU A 723
GLU A 744
ARG A 726
PHE A 471
1.68A11.57
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE A 896
PHE A 906
LEU A1049
GLN A 901
ALA A 924
1.60A9.72
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR B1067
PHE B1109
VAL B 911
ILE B 909
PHE B 800
1.51A9.72
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 347
VAL A 401
ILE A 402
PHE A 429
ALA A 397
1.42A9.68
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE A 909
PHE A1052
GLN A1036
ALA A 924
PHE A 927
1.26A9.68
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 347
VAL A 401
ILE A 402
PHE A 429
ALA A 397
1.35A9.68
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE B 909
PHE B1052
GLN B1036
ALA B 924
PHE B 927
1.23A9.68
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
ILE C  74
PHE C 110
ALA C 138
SER C  78
TYR C 112
1.48A17.30
None
None
None
GOL  C 203 (-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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
ILE C  74
PHE C 110
ALA C 138
SER C  78
TYR C 112
1.50A17.30
None
None
None
GOL  C 203 (-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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6w02 NSP3
(SARS-CoV-2)		5 / 12
VAL B 100
ILE B 106
PHE B 116
ALA B  39
SER B 128
1.61A17.89
None
None
None
None
APR  B 201 (-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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6w02 NSP3
(SARS-CoV-2)		5 / 12
VAL B 100
ILE B 106
PHE B 116
ALA B  39
SER B 128
1.67A17.89
None
None
None
None
APR  B 201 (-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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 12
PHE C 347
VAL C 401
ILE C 402
PHE C 429
ALA C 397
1.38A22.73
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 12
VAL C 401
ILE C 402
PHE C 429
LEU C 425
ALA C 397
1.50A22.73
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A 125
PHE A 291
PHE A   3
GLN A 127
ARG A 298
1.73A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL B 100
ILE B 106
PHE B 116
ALA B  38
SER B 128
1.79A
None
None
None
MES  B 201 ( 3.4A)
MES  B 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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wcf NSP3
(SARS-CoV-2)		5 / 12
VAL A 100
ILE A 106
PHE A 116
ALA A  39
SER A 128
1.56A
None
None
None
MES  A 201 ( 4.7A)
MES  A 201 (-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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wcf NSP3
(SARS-CoV-2)		5 / 12
VAL A 100
ILE A 106
PHE A 116
ALA A  39
SER A 128
1.61A20.62
None
None
None
MES  A 201 ( 4.7A)
MES  A 201 (-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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wcf NSP3
(SARS-CoV-2)		5 / 12
VAL A 100
ILE A 106
PHE A 116
ALA A  38
SER A 128
1.78A
None
None
None
MES  A 201 (-3.6A)
MES  A 201 (-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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 12
ILE B 119
PHE B  92
LEU B  95
ALA B 110
SER A  61
1.79A20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE C 130
PHE C 110
PHE C  53
LEU C 159
ALA C  50
1.77A17.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE B  74
PHE B 110
ALA B 138
SER B  78
TYR B 112
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE D 130
PHE D 110
PHE D  53
LEU D 159
ALA D  50
1.78A17.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE D  74
PHE D 110
ALA D 138
SER D  78
TYR D 112
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE A  74
PHE A 110
ALA A 138
SER A  78
TYR A 112
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE C  74
PHE C 110
ALA C 138
SER C  78
TYR C 112
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE C  74
PHE C 110
ALA C 138
SER C  78
TYR C 112
1.58A17.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE B  74
PHE B 110
ALA B 138
SER B  78
TYR B 112
1.58A17.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE A  74
PHE A 110
ALA A 138
SER A  78
TYR A 112
1.52A17.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE D  74
PHE D 110
ALA D 138
SER D  78
TYR D 112
1.57A17.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
VAL B 295
PHE B 214
PHE B 222
GLU B 211
PHE B 233
1.79A18.80
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL B 100
ILE B 106
PHE B 116
ALA B  39
SER B 128
1.66A21.00
None
None
None
None
APR  B 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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL D 100
ILE D 106
PHE D 116
ALA D  39
SER D 128
1.69A21.00
None
None
None
None
APR  D 201 (-4.3A)
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL C 100
ILE C 106
PHE C 116
ALA C  39
SER C 128
1.72A21.00
None
None
None
None
APR  C 201 (-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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL A 100
ILE A 106
PHE A 116
ALA A  39
SER A 128
1.70A21.00
None
None
None
None
APR  A 201 (-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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL D 100
ILE D 106
PHE D 116
ALA D  39
SER D 128
1.62A
None
None
None
None
APR  D 201 (-4.3A)
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL C 100
ILE C 106
PHE C 116
ALA C  39
SER C 128
1.66A
None
None
None
None
APR  C 201 (-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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL B 100
ILE B 106
PHE B 116
ALA B  39
SER B 128
1.60A
None
None
None
None
APR  B 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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL A 100
ILE A 106
PHE A 116
ALA A  39
SER A 128
1.63A
None
None
None
None
APR  A 201 (-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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
ILE D 119
PHE D  92
LEU D  95
ALA D 110
SER C  61
1.77A20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
ILE B 119
PHE B  92
LEU B  95
ALA B 110
SER A  61
1.74A20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A 125
PHE A 291
PHE A   3
GLN A 127
ARG A 298
1.74A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE B 150
VAL B  13
PHE A 150
ALA B   7
SER B 113
1.71A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL A 125
PHE A 291
PHE A   3
GLN A 127
ARG A 298
1.80A19.30
None
None
None
DMS  A 403 (-3.4A)
DMS  A 403 (-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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
ILE D 119
PHE D  92
LEU D  95
ALA D 110
SER C  61
1.71A21.23
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
TYR A  46
ILE A  90
PHE A  70
PHE A  13
ALA A  10
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
ILE A  90
PHE A  70
PHE A  13
LEU A 119
ALA A  10
1.79A20.51
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 347
VAL A 401
ILE A 402
PHE A 429
ALA A 397
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
VAL E 401
ILE E 402
PHE E 429
LEU E 425
ALA E 397
1.47A24.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE E 347
VAL E 401
ILE E 402
PHE E 429
ALA E 397
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE E 515
VAL E 395
ILE E 358
PHE E 342
PHE E 374
1.75A
None
None
None
None
DMS  E 901 (-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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
VAL A 401
ILE A 402
PHE A 429
LEU A 425
ALA A 397
1.49A24.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE E 347
VAL E 401
ILE E 402
PHE E 429
ALA E 397
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL A 125
PHE A 291
PHE A   3
GLN A 127
ARG A 298
1.76A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
VAL E 401
ILE E 402
PHE E 429
LEU E 425
ALA E 397
1.46A22.73
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 515
VAL A 395
ILE A 358
PHE A 342
PHE A 374
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE E 515
VAL E 395
ILE E 358
PHE E 342
PHE E 374
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE E 347
VAL E 401
ILE E 402
PHE E 429
ALA E 397
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 347
VAL A 401
ILE A 402
PHE A 429
ALA A 397
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
VAL A 401
ILE A 402
PHE A 429
LEU A 425
ALA A 397
1.46A22.73
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.
3APW_A_DP0A190_2
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 4
VAL A 144
ARG A 141
HIS A 138
PHE A 168
1.34A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_2
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 4
VAL C 144
ARG C 141
HIS C 138
PHE C 168
1.33A20.71
None
None
EDO  C 208 ( 4.9A)
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.
3APW_A_DP0A190_2
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 4
VAL C 144
ARG C 141
HIS C 138
PHE C 168
1.33A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_2
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 4
VAL A 144
ARG A 141
HIS A 138
PHE A 168
1.32A20.71
None
None
EDO  A 204 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C 100
ILE C 106
PHE C 116
ALA C  38
SER C 128
1.78A
None
None
None
MES  C 201 (-3.5A)
MES  C 201 (-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.
3APW_A_DP0A190_2
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 4
VAL A 144
ARG A 141
HIS A 138
PHE A 168
1.33A20.71
None
EDO  A 206 (-4.2A)
EDO  A 205 (-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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
VAL A 125
PHE A 291
PHE A   3
GLN A 127
ARG A 298
1.76A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
VAL A 785
PHE A 471
PHE A 741
LEU A 727
GLN A 468
1.76A11.57
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
PHE A 317
LEU A 282
GLU A 254
ARG A 285
PHE A 287
1.65A11.57
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
PHE A 745
LEU A 723
GLU A 744
ARG A 726
PHE A 471
1.71A11.67
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
PHE A 745
LEU A 723
GLU A 744
ARG A 726
ALA A  43
1.76A11.67
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
VAL A 785
PHE A 471
PHE A 741
LEU A 727
GLN A 468
1.78A11.67
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
PHE A 745
LEU A 723
GLU A 744
ARG A 726
ALA A  43
1.70A11.67
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
PHE A 745
LEU A 723
GLU A 744
ARG A 726
PHE A 471
1.72A11.67
None