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-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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
1uj1 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A  13
PHE B 150
ALA A   7
SER A 113
1.72A20.72
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_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
1uj1 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
VAL A 125
PHE A 291
PHE A   3
ARG A 298
PHE B 140
1.57A20.72
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)
2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A  13
PHE B 150
ALA A   7
SER A 113
1.72A20.72
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_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
2ajf SPIKE PROTEIN
(SARSr-CoV)
5 / 12
VAL F 382
ILE F 345
PHE F 364
LEU F 421
TYR F 352
1.63A19.80
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_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
2ajf SPIKE PROTEIN
(SARSr-CoV)
5 / 12
PHE E 501
VAL E 382
ILE E 345
PHE E 329
PHE E 361
1.65A19.80
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_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
2amd 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A  13
PHE B 150
ALA A   7
SER A 113
1.72A20.72
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_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
VAL A 125
PHE A 291
PHE A   3
ARG A 298
ALA B 116
1.67A20.72
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_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL C 394
ILE C 397
PHE C 329
PHE C 360
SER C 362
1.67A20.00
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)
2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)
5 / 12
PHE A  74
ILE A   7
GLU A   4
SER A  73
TYR A   2
1.30A21.24
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)
2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)
5 / 12
ILE A  75
PHE A 111
ALA A 139
SER A  79
TYR A 113
1.55A18.23
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)
2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)
5 / 12
ILE A  75
PHE A 111
ALA A 139
SER A  79
TYR A 113
1.57A18.23
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_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)
5 / 12
ILE B 106
PHE B 291
GLN B 110
ARG B 298
ALA B   7
1.58A20.72
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)
2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)
5 / 12
PHE A 150
PHE B 150
ALA A   7
SER A 113
SER A  10
1.73A20.72
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_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
2qc2 3C-LIKE PROTEINASE
(-)
5 / 12
VAL A  13
LEU B 115
GLU B  14
ALA B   7
SER A 113
1.61A20.72
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)
2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
5 / 12
PHE A  43
VAL A  51
ILE E  26
GLU E   3
ALA A  59
1.58A20.68
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)
2vj1 MAIN PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 112
GLU A 290
PHE A 140
SER A 139
TYR A 126
1.68A22.73
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)
3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE A 150
VAL A  13
PHE B 150
ALA A   7
SER A 113
1.72A20.72
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)
3bgf F26G19 FAB
(Mus
musculus)
5 / 12
TYR C  91
ILE C   2
GLU C  28
ALA C  50
TYR C  71
1.52A21.52
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)
3bgf SPIKE PROTEIN S1
(SARSr-CoV)
5 / 12
PHE A 329
VAL A 497
PHE A 501
PHE A 379
ALA A 350
1.66A19.18
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)
3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE B 150
VAL B  13
PHE A 150
ALA B   7
SER B 113
1.70A20.72
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_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
VAL B 125
PHE B 291
PHE B   3
ARG B 298
ALA A 116
1.56A21.36
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)
3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
VAL A 125
PHE A 291
PHE A   3
ARG A 298
ALA B 116
1.63A20.72
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)
3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE B 150
VAL B  13
PHE A 150
ALA B   7
SER B 113
1.71A20.72
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_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL E 382
ILE E 345
PHE E 364
LEU E 421
TYR E 352
1.54A21.76
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)
3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL E 382
ILE E 345
PHE E 364
LEU E 421
TYR E 352
1.67A22.33
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)
5 / 12
VAL A 206
PHE A 128
PHE A 148
GLN A 175
ALA A 120
1.65A22.42
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)
5 / 12
TYR B 498
VAL B 316
ILE B 397
PHE B 436
PHE B 431
1.67A16.16
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)
5 / 12
VAL B 199
ILE B 201
GLU B 204
ARG B 213
ALA B  85
1.33A16.33
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)
5 / 12
PHE B 183
VAL B 199
ILE B 201
GLU B 204
ALA B  85
1.58A16.33
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)
5 / 12
VAL A 269
PHE A  89
PHE A 198
GLU A 191
ALA A 119
1.66A15.93
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)
5 / 12
VAL D 199
ILE D 201
GLU D 204
ARG D 213
ALA D  85
1.43A15.93
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)
5 / 12
VAL D 206
PHE D 128
PHE D 148
GLN D 175
ALA D 120
1.66A20.87
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)
5x4r S PROTEIN
(MERS-CoV)
5 / 12
TYR A  87
VAL A 102
ILE A  35
PHE A 164
ALA A 146
1.38A18.13
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)
5x4r S PROTEIN
(MERS-CoV)
5 / 12
VAL A 263
ILE A 290
PHE A 228
LEU A 187
PHE A 183
1.54A18.13
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)
5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 12
PHE C 187
VAL C 196
ILE C 219
PHE C 168
ALA C  91
1.59A9.53
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)
5x59 S PROTEIN
(MERS-CoV)
5 / 12
TYR A  87
VAL A 102
ILE A  35
PHE A 164
ALA A 146
1.36A8.97
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 12
PHE C 880
PHE C 784
GLN C 902
ALA C 912
PHE C 909
1.67A9.53
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)
5x5f S PROTEIN
(MERS-CoV)
5 / 12
ILE B1165
ALA C 969
PHE B 778
SER B1151
TYR B1153
1.44A8.97
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
ILE B 878
PHE B 888
LEU B1031
GLN B 883
ALA B 906
1.61A9.98
ILE  B 878 ( 0.6A)
PHE  B 888 ( 1.3A)
LEU  B1031 ( 0.6A)
GLN  B 883 ( 0.6A)
ALA  B 906 ( 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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)
5 / 12
VAL A 206
PHE A 128
PHE A 148
GLN A 175
ALA A 120
1.66A22.15
None
None
None
None
NA  A 404 ( 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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
TYR B1049
PHE B1091
VAL B 893
ILE B 891
PHE B 782
1.47A9.98
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)
6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL B 893
ILE B 891
PHE B1034
GLN B1018
PHE B 909
1.27A9.98
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)
6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 12
ILE B 891
PHE B1034
GLN B1018
ALA B 906
PHE B 909
1.34A9.30
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)
6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 12
PHE B 545
ILE C  46
PHE B 558
PHE C 837
SER B 541
1.21A9.30
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)
6jyt HELICASE
(SARSr-CoV)
5 / 12
ILE A 376
LEU A 417
ARG A 409
ALA A 123
SER A 424
1.47A14.93
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
6m0j ACE2
(Homo
sapiens)
5 / 12
TYR A 587
PHE A 438
ILE A 446
GLU A 406
ALA A 412
1.66A14.83
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)
6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)
5 / 12
ILE C 309
PHE C  74
LEU C  75
ALA C 318
PHE C  58
1.52A12.82
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)
6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL A 382
ILE A 345
PHE A 329
PHE A 361
ALA A 371
1.65A9.74
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)
6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)
5 / 12
VAL L  13
ILE L 111
GLU L  86
ARG L  66
TYR L  91
1.47A19.47
None