Ligand ID: ROF


Drugbank ID:
DB01656
(Roflumilast)


Indication:
Roflumilast is indicated as a treatment to reduce the risk of COPD exacerbations in patients with severe COPD associated with chronic bronchitis and a history of exacerbations. Roflumilast is not a bronchodilator and is not indicated for the relief of acute bronchospasm.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'ROF' 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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.78A18.38
None
None
DMS  A 402 (-3.4A)
DMS  A 402 (-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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.78A21.71
None
None
DMS  A 402 (-3.4A)
DMS  A 402 (-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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6lze VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
ASP A 216
LEU A 282
GLN A 299
1.79A21.67
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
ASP A 216
LEU A 282
GLN A 299
1.79A21.53
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.76A21.67
None
None
DMS  A 404 (-3.3A)
DMS  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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
ASN C 151
THR C 111
GLN C 127
PHE C   8
1.80A21.84
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
ASN D 151
THR D 111
GLN D 127
PHE D   8
1.78A21.84
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.80A21.84
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
ASN B 151
THR B 111
GLN B 127
PHE B   8
1.79A21.84
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ASP D 216
LEU D 282
GLN D 299
1.78A21.43
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.74A21.84
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
HIS C  60
LEU C  57
THR B 166
ILE A  95
GLN B  71
1.47A16.08
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.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
HIS A 381
MET B  87
THR A 540
ILE A 539
SER A 501
1.63A17.87
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.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
MET B  87
THR A 540
ILE A 539
SER A 501
PHE A 506
1.76A19.78
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.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
HIS A 381
MET B  87
THR A 540
ILE A 539
SER A 501
1.61A18.12
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
HIS A 381
MET B  87
THR A 540
ILE A 539
SER A 501
1.62A18.12
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.
3G4L_D_ROFD904_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ASN B 801
MET B 902
PHE B 927
1.00A15.56
NAG  B1309 (-1.8A)
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.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR B 279
ASP B  40
THR B 284
ILE B 285
PHE A 562
1.73A14.52
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.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR B 279
ASP B  40
THR B 284
ILE B 285
PHE A 562
1.75A14.52
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.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
SER C 803
GLN C 804
PHE C 817
0.94A15.56
NAG  C1307 ( 4.8A)
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.
3G4L_B_ROFB902_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR B 279
ASP B  40
THR B 284
ILE B 285
PHE A 562
1.76A15.56
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.
3G4L_D_ROFD904_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ASN C1119
MET A 900
PHE C1095
1.79A15.41
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.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR C 279
ASP C  40
THR C 284
ILE C 285
PHE B 562
1.70A14.41
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.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
SER A 803
GLN A 804
PHE A 817
1.24A15.41
NAG  A1314 (-3.4A)
NAG  A1314 (-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.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR C 279
ASP C  40
THR C 284
ILE C 285
PHE B 562
1.72A14.41
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.
3G4L_D_ROFD904_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ASN A 801
MET A 902
PHE A 927
1.10A15.41
NAG  A1314 (-1.9A)
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.
3G4L_B_ROFB902_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR C 279
ASP C  40
THR C 284
ILE C 285
PHE B 562
1.74A15.41
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w4h NSP10
(SARS-CoV-2)		3 / 3
ASP B4344
LEU B4345
GLN B4351
0.92A14.92
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.
1XMU_B_ROFB102_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6w4h NSP16
(SARS-CoV-2)		5 / 12
TYR A6979
HIS A7023
TRP A6988
PHE A6948
SER A6927
1.69A24.12
None
None
None
ACT  A7104 (-4.7A)
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w4h NSP10
NSP16
(SARS-CoV-2)		5 / 12
ASP A6904
PRO B4312
THR B4309
ILE B4308
GLN B4351
1.48A22.00
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
ASP A6904
PRO B4312
THR B4309
ILE B4308
GLN B4351
1.49A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w61 NSP10
(SARS-CoV-2)		3 / 3
ASP B4344
LEU B4345
GLN B4351
0.89A
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.
1XMU_B_ROFB102_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6979
HIS A7023
TRP A6988
PHE A6948
SER A6927
1.66A
None
None
None
EDO  A7102 (-4.8A)
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.73A21.84
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 12
ASP C6904
PRO D4312
THR D4309
ILE D4308
GLN D4351
1.48A18.66
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 12
ASP A6904
PRO B4312
THR B4309
ILE B4308
GLN B4351
1.47A18.66
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w75 NSP10
(SARS-CoV-2)		3 / 3
ASP B4344
LEU B4345
GLN B4351
1.15A14.92
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ASP A 179
LEU A 178
GLN A 133
1.68A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ASP A 179
LEU A 178
GLN A 237
1.35A
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.
3G4L_D_ROFD904_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ASN C 128
MET C 169
PHE C 127
1.75A20.96
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ASP B 179
LEU B 178
GLN B 133
1.67A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ASP B 179
LEU B 178
GLN B 237
1.59A
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.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
LEU B 178
PRO B 240
ILE B 123
PHE B 304
MET B 244
1.80A20.37
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.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR F 333
ILE E 320
PHE F 286
SER E 312
PHE E 314
1.51A12.91
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ASP F 288
LEU F 291
GLN F 303
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.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR E 333
ILE F 320
PHE E 286
SER F 312
PHE F 314
1.60A12.91
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.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR B 333
ILE A 320
PHE B 286
SER A 312
PHE A 314
1.56A12.91
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ASP B 288
LEU B 291
GLN B 303
1.57A
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.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR D 333
ILE C 320
PHE D 286
SER C 312
PHE C 314
1.57A12.91
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.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR C 333
ILE D 320
PHE C 286
SER D 312
PHE D 314
1.56A12.91
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ASP C 288
LEU C 291
GLN C 303
1.62A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ASP A 288
LEU A 291
GLN A 303
1.62A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ASP D 288
LEU D 291
GLN D 303
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ASP E 288
LEU E 291
GLN E 303
1.58A
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.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR A 333
ILE B 320
PHE A 286
SER B 312
PHE B 314
1.55A12.91
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
ASP A6904
PRO B4312
THR B4309
ILE B4308
GLN B4351
1.46A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wjt NSP10
(SARS-CoV-2)		3 / 3
ASP D4344
LEU D4345
GLN D4351
1.20A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wjt NSP10
(SARS-CoV-2)		3 / 3
ASP B4344
LEU B4345
GLN B4351
1.20A
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
ASP C6904
PRO D4312
THR D4309
ILE D4308
GLN D4351
1.48A
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.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ASP A  63
LEU A  64
PRO A 168
SER B  79
PHE A 171
1.67A14.59
None
None
None
ZN  B 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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 12
ASP C6904
PRO D4312
THR D4309
ILE D4308
GLN D4351
1.47A
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 12
ASP A6904
PRO B4312
THR B4309
ILE B4308
GLN B4351
1.48A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wkq NSP10
(SARS-CoV-2)		3 / 3
ASP D4344
LEU D4345
GLN D4351
1.21A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wkq NSP10
(SARS-CoV-2)		3 / 3
ASP B4344
LEU B4345
GLN B4351
1.16A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		3 / 3
ASP A 297
LEU A 252
GLN A 202
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		3 / 3
ASP B 297
LEU B 252
GLN B 202
1.63A
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.77A21.84
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
ASP A6904
PRO B4312
THR B4309
ILE B4308
GLN B4351
1.47A
None
None
SO4  B4404 (-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.
1XMU_B_ROFB102_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6979
HIS A7023
TRP A6988
PHE A6948
SER A6927
1.69A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ASP A 216
LEU A 282
GLN A 299
1.73A
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.75A21.84
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wrh PEPTIDASE C16
(SARS-CoV-2)		3 / 3
ASP A 179
LEU A 178
GLN A 237
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.
3G4L_D_ROFD904_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6wrh PEPTIDASE C16
(SARS-CoV-2)		3 / 3
ASN A 128
MET A 169
PHE A 127
1.69A22.44
PO4  A 504 (-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.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6xez NSP12
(SARS-CoV-2)		3 / 3
SER A  78
GLN A  81
PHE A  77
1.33A17.78
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
ASN B 151
THR B 111
GLN B 127
PHE B   8
1.70A21.84
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.76A18.38
None
None
DMS  A 403 (-3.4A)
DMS  A 403 (-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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		3 / 3
ASP C  38
LEU C  41
GLN A  19
0.95A
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		3 / 3
ASP A  38
LEU A  41
GLN C  19
1.22A
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.
1XOQ_A_ROFA502_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		3 / 3
ASN A  37
TRP A  12
GLN A  43
1.53A15.47
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ASP A 216
LEU A 282
GLN A 299
1.73A
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.79A22.03
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.76A22.03
None
CL  A 406 ( 3.6A)
CL  A 406 (-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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.77A21.84
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		7btf NSP12
(SARS-CoV-2)		3 / 3
ASP A 304
LEU A 308
GLN A 292
1.79A
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
HIS A 381
MET B  87
LEU A 372
ILE A 539
SER A 501
1.59A
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.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		7btf NSP12
(SARS-CoV-2)		3 / 3
SER A  78
GLN A  81
PHE A  77
1.32A18.12
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.76A21.84
None
None
DMS  A 406 (-3.3A)
DMS  A 406 (-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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		7bv1 NSP12
NSP7
NSP8
(SARS-CoV-2)		3 / 3
MET D  94
ASN A 414
GLN C  19
1.43A20.57
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		7bv1 NSP8
(SARS-CoV-2)		5 / 12
ASP D 163
THR D 187
ILE D 185
MET D 129
GLN D 158
1.79A
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.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
HIS A 381
MET B  87
LEU A 372
THR A 540
SER A 501
1.53A
None
None
None
None
U  T   9 ( 2.7A)
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.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
HIS A 381
MET B  87
LEU A 372
THR A 540
SER A 501
1.49A18.03
None
None
None
None
U  T   9 ( 2.7A)