Ligand ID: QDN


Drugbank ID:
DB00908
(Quinidine)


Indication:
For the treatment of ventricular pre-excitation and cardiac dysrhythmias

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'QDN'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		1x7q HLA, A-11
(Homo
sapiens)		5 / 10
GLY A 265
GLU A 264
PHE A 208
ALA A 211
ASP A  30
1.64A21.17
None
None
None
None
GOL  A5003 (-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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 10
GLY A 312
PHE A 314
LEU A 309
ALA A 220
ALA A 234
1.43A16.18
GOL  A1010 ( 4.8A)
None
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 11
LEU A 225
GLY A 279
LEU A 309
ALA A 232
PHE A 298
1.40A16.18
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 9
LEU C  40
PHE H  11
GLU H  65
GLN C  36
ALA H  58
1.66A13.35
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.32A20.95
PJE  D   5 (-2.8A)
PJE  D   5 ( 4.4A)
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.40A20.95
PJE  D   5 (-2.8A)
PJE  D   5 ( 4.4A)
None
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 115
GLU B  14
PHE A   8
ALA A   7
ALA B 116
1.60A20.95
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 11
LEU C  44
GLY C  98
LEU C 128
ALA C  51
PHE C 117
1.34A16.53
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 10
GLY C 131
PHE C 133
LEU C 128
ALA C  39
ALA C  53
1.35A16.53
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
GLU C 135
LEU C  88
ALA C 146
ASP C 144
ALA C 140
1.41A21.35
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU C  88
PHE C 148
ALA C 145
ASP C 144
ALA C 142
1.78A21.35
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU C 421
PHE C 501
ALA C 350
ASP C 351
PHE C 361
1.34A16.95
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.35A22.29
AZP  A 401 (-3.4A)
AZP  A 401 ( 4.7A)
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.43A22.29
AZP  A 401 (-3.4A)
AZP  A 401 ( 4.7A)
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.45A20.96
WR1  B 602 (-3.3A)
WR1  B 602 ( 4.7A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.37A20.96
WR1  B 602 (-3.3A)
WR1  B 602 ( 4.7A)
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.46A22.13
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.44A21.61
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 9
LEU B 115
GLU A  14
PHE B   8
ALA B   7
ALA A 116
1.58A21.61
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 10
GLY A 170
GLU A 166
PHE B   3
LEU B 282
SER A 139
1.77A21.71
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
LEU A  85
GLY A  71
ALA A 107
ASP A 106
SER A 105
1.46A19.46
None
SAH  A1293 (-3.8A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		2xyq NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		6 / 11
LEU A 244
LEU A  50
GLN A  49
PHE A 250
LEU B  45
PHE A 205
1.77A19.46
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		2xyv NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		6 / 11
LEU A 244
LEU A  50
GLN A  49
PHE A 250
LEU B  45
PHE A 205
1.78A19.83
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
LEU A  85
GLY A  71
ALA A 107
ASP A 106
SER A 105
1.46A19.83
None
SAH  A1300 (-3.8A)
None
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 9
GLU A 502
PHE A 416
ASP A 385
SER A 500
ALA A 384
1.73A15.93
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
GLY A 422
LEU A 423
GLU A 310
ASP A 543
PHE A 369
1.35A21.50
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
LEU B 595
PHE B 588
LEU B 591
ALA B 443
PHE B 230
1.20A21.50
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
GLY B 130
GLU B 171
ALA B 501
ASP B 499
SER B 502
1.61A21.50
None
None
None
CL  B 902 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY A 138
GLU A 166
PHE B   3
LEU B 282
ALA B 210
1.68A22.34
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.32A22.34
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.41A22.34
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY A 138
GLU A 166
PHE B   3
LEU B 282
ALA B 210
1.64A19.67
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU B 115
GLU A  14
PHE B   8
ALA B   7
ALA A 116
1.58A19.67
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.35A21.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.44A21.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.37A19.96
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 115
GLU B  14
PHE A   8
ALA A   7
ALA B 116
1.62A19.96
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.28A19.96
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
GLU B 135
LEU B  88
ALA B 146
ASP B 144
ALA B 140
1.34A21.31
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		6 / 11
LEU A 244
LEU A  50
GLN A  49
PHE A 250
LEU B  45
PHE A 205
1.76A19.68
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		3sci ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
PHE E 472
GLU A  75
GLN A  76
LEU A 100
ALA A  80
1.74A18.80
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		3scj ACE2
(Homo
sapiens)		5 / 11
GLY B 422
LEU B 423
GLU B 310
ASP B 543
PHE B 369
1.42A21.91
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		3scj ACE2
(Homo
sapiens)		5 / 10
GLY B 130
GLU B 171
ALA B 501
ASP B 499
SER B 502
1.46A21.91
None
None
None
CL  B 902 ( 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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
GLY B 130
GLU B 171
LEU B 176
ALA B 501
ASP B 499
1.69A22.69
None
None
None
None
CL  B 902 ( 4.8A)
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
GLY B 422
LEU B 423
GLU B 310
ASP B 543
PHE B 369
1.40A22.69
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
LEU B 595
PHE B 588
LEU B 591
ALA B 443
PHE B 230
1.20A22.69
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		3vb4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY B 138
GLU B 166
PHE A   3
LEU A 282
ALA A 210
1.60A22.34
None
0JU  F   5 (-3.7A)
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		3vb5 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.34A22.34
0JU  E   5 (-3.7A)
None
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		3vb5 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.24A22.34
0JU  E   5 (-3.7A)
None
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.36A20.76
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.45A20.76
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		4wy3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.37A21.70
3X5  A 401 (-3.7A)
None
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		4wy3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.28A21.70
3X5  A 401 (-3.7A)
None
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.40A21.84
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.32A21.84
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY A 120
LEU A  27
ALA A 145
SER A 147
ALA A 116
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		5c5n 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 219
GLN A 306
PHE A 305
ASP A 216
ALA A 211
1.64A21.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		5c5n 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE A 219
GLN A 306
PHE A 305
ASP A 216
ALA A 211
1.67A21.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
LEU B 152
GLY B 110
GLU B  92
GLN B 108
ALA B 119
1.46A22.14
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
GLU D 135
PHE D 148
ALA D 145
ASP D 144
ALA D 142
1.59A21.67
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
GLU A 135
LEU A  88
ALA A 146
ASP A 144
ALA A 140
1.29A21.67
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		5r80 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.45A21.99
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		5r84 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.36A21.99
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.58A14.50
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.49A14.50
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.40A14.50
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.72A14.50
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
GLU B 135
LEU B  88
ALA B 146
ASP B 144
ALA B 140
1.41A21.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
GLU B 135
PHE B 148
ALA B 145
ASP B 144
ALA B 142
1.59A21.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
GLY C  39
PHE C 262
LEU C 264
ALA C 275
ASP C 274
1.75A16.69
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		5x5c S PROTEIN
(MERS-CoV)		5 / 10
GLN A1085
LEU A 835
ALA A 838
SER A1089
ALA A1093
1.63A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
PHE A 231
GLY A  86
PHE A 187
LEU A 194
ALA A 233
1.40A17.04
PHE  A 231 ( 1.3A)
GLY  A  86 ( 0.0A)
PHE  A 187 ( 1.3A)
LEU  A 194 ( 0.6A)
ALA  A 233 ( 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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU C 843
GLN A 301
ALA C 753
SER C 750
ALA C 748
1.70A16.96
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6acj ACE2
(Homo
sapiens)		5 / 9
LEU D 539
GLN D 526
PHE D 525
ALA D 528
ALA D 550
1.77A21.91
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU C 927
LEU C 810
PHE C 805
LEU C 804
ALA C1038
1.19A16.96
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU A 959
GLY A 839
LEU A 840
PHE A 837
ASP B 557
1.44A16.96
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
LEU C 355
GLY C 326
PHE C 325
ALA C 350
ASP C 351
1.36A16.82
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
LEU A 788
PHE A 870
PHE A 779
ALA A 864
ALA A 866
1.79A16.82
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
PHE B 157
GLY B 104
LEU B 224
ALA B 127
ALA B 156
1.65A16.82
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		5 / 10
GLY D1167
GLN E 965
PHE D 970
LEU E 966
SER D 967
1.71A12.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.79A22.04
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.63A22.04
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.46A22.04
ELL  D   3 (-3.6A)
None
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.37A22.04
ELL  D   3 (-3.6A)
None
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
LEU A 141
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.78A22.04
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6lzg ACE2
(Homo
sapiens)		5 / 11
LEU A 595
PHE A 588
LEU A 591
ALA A 443
PHE A 230
1.17A21.50
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m0j ACE2
(Homo
sapiens)		5 / 11
LEU A 595
PHE A 588
LEU A 591
ALA A 443
PHE A 230
1.15A21.91
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.71A21.99
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.37A21.99
ELL  D   3 (-3.6A)
None
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.56A21.99
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.46A21.99
ELL  D   3 (-3.6A)
None
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		6 / 11
LEU A 262
GLY A  68
LEU A 254
PHE A  70
ALA A 271
PHE A 255
1.78A21.60
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
LEU C 262
GLY C  68
LEU C 254
PHE C  70
PHE C 255
1.33A21.60
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
LEU C 286
PHE C 283
ALA C 282
SER C 118
ALA C 117
1.76A21.60
None
LEU  C 707 (-3.8A)
None
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
GLY A 438
PHE A 283
ALA A 282
SER A 118
ALA A 117
1.22A21.60
None
LEU  A 707 (-3.8A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m17 ACE2
(Homo
sapiens)		5 / 11
LEU D 595
PHE D 588
LEU D 591
ALA D 443
PHE D 230
1.27A18.89
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6m1d ACE2
(Homo
sapiens)		5 / 9
PHE B 369
GLU B 310
ALA B 304
ASP B 368
ALA B 372
1.33A18.89
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m1d ACE2
(Homo
sapiens)		5 / 11
GLY B 130
LEU B 144
ALA B 501
ASP B 499
SER B 502
1.21A18.89
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6m1d ACE2
(Homo
sapiens)		5 / 10
PHE B 369
GLU B 310
ALA B 304
ASP B 368
ALA B 372
1.32A18.89
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY C 179
LEU C 177
GLU C 178
GLN C  83
PHE C 103
1.63A21.99
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.35A21.99
3WL  A 401 (-3.3A)
None
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
LEU B 141
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.78A21.99
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY D 179
LEU D 177
GLU D 178
GLN D  83
PHE D 103
1.75A21.99
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.66A21.99
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY C 179
LEU C 177
GLU C 178
GLN C  83
PHE C 103
1.77A21.99
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.33A21.99
3WL  B 401 (-3.4A)
None
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY D 143
LEU D  27
PHE D 140
ALA D 116
SER D 147
1.43A21.99
3WL  D 401 (-3.4A)
None
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY B 179
LEU B 177
GLU B 178
GLN B  83
PHE B 103
1.76A21.99
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.42A21.99
3WL  B 401 (-3.4A)
None
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.44A21.99
3WL  A 401 (-3.3A)
None
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY B 179
LEU B 177
GLU B 178
GLN B  83
PHE B 103
1.62A21.99
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.52A21.99
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY D 179
LEU D 177
GLU D 178
GLN D  83
PHE D 103
1.60A21.99
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY D 143
LEU D  27
PHE D 140
ALA D 116
SER D 147
1.34A21.99
3WL  D 401 (-3.4A)
None
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.53A21.99
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 11
LEU A 141
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.78A21.99
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.67A21.99
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.38A21.99
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.47A21.99
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		5 / 11
LEU A 241
GLY A 214
GLN A 210
LEU A 207
ALA A 125
1.72A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m71 NSP8
(SARS-CoV-2)		5 / 11
LEU B 153
GLY B 144
LEU B 169
PHE B 147
ALA B 188
1.78A17.78
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		5 / 11
PHE A  45
GLY A 712
GLN A 724
ALA A 706
SER A 709
1.70A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		5 / 11
PHE A  45
GLY A 712
GLN A 724
ALA A 706
SER A 709
1.69A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		5 / 10
PHE A  45
GLY A 712
GLN A 724
ALA A 706
SER A 709
1.73A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		5 / 11
GLY A 712
GLN A 724
ALA A 706
SER A 709
PHE A  48
1.75A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		5 / 11
LEU A 708
LEU A 749
PHE A 471
LEU A 731
PHE A 753
1.75A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m71 NSP12
NSP7
(SARS-CoV-2)		5 / 11
LEU C  40
GLY A 839
LEU A 838
PHE A 415
SER C   4
1.80A12.27
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m71 NSP8
(SARS-CoV-2)		5 / 11
LEU B 153
GLY B 144
LEU B 169
PHE B 147
ALA B 188
1.75A17.78
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		5 / 11
GLY A 712
GLN A 724
ALA A 706
SER A 709
PHE A  48
1.74A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		5 / 11
LEU A 891
GLY A 841
LEU A 838
ALA A 863
PHE A 428
1.62A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6m71 NSP12
NSP7
(SARS-CoV-2)		5 / 11
LEU C  40
GLY A 839
LEU A 838
PHE A 415
SER C   4
1.75A12.27
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6nur NSP12
(SARSr-CoV)		5 / 11
LEU A 891
GLY A 841
LEU A 838
ALA A 863
PHE A 428
1.45A18.51
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6nur NSP12
NSP8
(SARSr-CoV)		5 / 9
LEU B  91
GLU A 370
PHE A 506
ALA A 376
ASP A 377
1.72A17.75
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
LEU C 865
ALA C 871
ASP C 867
SER C1055
ALA C1056
1.69A16.75
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
GLU E 516
PHE E 429
ASP E 398
SER E 514
ALA E 397
1.49A16.60
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
GLU E 516
PHE E 429
ASP E 398
SER E 514
ALA E 397
1.49A16.60
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6vxs NSP3
(SARS-CoV-2)		5 / 10
GLY B 130
PHE B 132
LEU B 127
ALA B  38
ALA B  50
1.66A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6vxs NSP3
(SARS-CoV-2)		5 / 11
LEU B 109
GLY B  79
LEU B  75
LEU B 127
ALA B  38
1.79A
None
None
SO4  B 201 ( 4.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6vxs NSP3
(SARS-CoV-2)		5 / 11
LEU A 109
GLY A  79
LEU A  75
LEU A 127
ALA A  38
1.77A
None
SO4  A 201 ( 4.8A)
SO4  A 201 (-4.1A)
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6vxs NSP3
(SARS-CoV-2)		5 / 10
GLY A 130
PHE A 132
LEU A 127
ALA A  38
ALA A  50
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 10
PHE H 146
LEU H 175
ALA H 114
SER H 112
ALA H  84
1.56A14.07
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w4h NSP10
NSP16
(SARS-CoV-2)		6 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
LEU B4298
PHE A7003
1.70A20.08
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
PHE A7003
1.50A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A6883
GLY A6869
ALA A6905
ASP A6904
SER A6903
1.53A
None
SAM  A7104 (-3.6A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A6855
GLY A6963
LEU A6959
LEU A6852
ALA A6966
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A6883
GLY A6871
ALA A6905
ASP A6904
SER A6903
1.69A
None
SAM  A7104 (-4.4A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		6 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
LEU B4298
PHE A7003
1.71A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.41A
X77  A 401 (-3.6A)
X77  A 401 ( 3.9A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.33A
X77  A 401 (-3.6A)
X77  A 401 ( 3.9A)
None
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6w6y NSP3
(SARS-CoV-2)		5 / 10
GLY A 130
PHE A 132
LEU A 127
ALA A  38
ALA A  52
1.46A
AMP  A 201 ( 3.5A)
AMP  A 201 ( 4.3A)
None
AMP  A 201 ( 3.9A)
AMP  A 201 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w6y NSP3
(SARS-CoV-2)		5 / 11
LEU A 109
GLY A  79
LEU A  75
LEU A 127
ALA A  38
1.78A
None
None
None
None
AMP  A 201 ( 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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w75 NSP16
(SARS-CoV-2)		5 / 11
LEU A6855
GLY A6963
LEU A6959
LEU A6852
ALA A6966
1.59A15.14
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6w75 NSP10
(SARS-CoV-2)		5 / 10
GLY D4362
PHE B4272
ALA D4279
ASP D4282
ALA D4285
1.72A14.45
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w75 NSP10
NSP16
(SARS-CoV-2)		6 / 11
LEU C7042
LEU C6848
GLN C6847
PHE C7048
LEU D4298
PHE C7003
1.73A15.14
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w75 NSP16
(SARS-CoV-2)		5 / 11
LEU C6855
GLY C6963
LEU C6959
LEU C6852
ALA C6966
1.57A15.14
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6w75 NSP16
(SARS-CoV-2)		5 / 11
LEU C6883
GLY C6871
ALA C6905
ASP C6904
SER C6903
1.67A15.14
None
SAM  C7105 ( 4.2A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w75 NSP10
NSP16
(SARS-CoV-2)		6 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
LEU B4298
PHE A7003
1.70A15.14
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6w75 NSP16
(SARS-CoV-2)		5 / 11
LEU A6883
GLY A6871
ALA A6905
ASP A6904
SER A6903
1.66A15.14
None
SAM  A7102 ( 4.2A)
None
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6w75 NSP10
(SARS-CoV-2)		5 / 10
GLY B4362
PHE D4272
ALA B4279
ASP B4282
ALA B4285
1.68A14.45
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6w75 NSP16
(SARS-CoV-2)		5 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
PHE A7003
1.49A15.14
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6w75 NSP16
(SARS-CoV-2)		5 / 11
LEU C7042
LEU C6848
GLN C6847
PHE C7048
PHE C7003
1.52A15.14
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
LEU B 152
GLY B 160
LEU B 162
GLU B 161
LEU B 113
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
PHE A 147
GLY A 100
LEU A 101
GLN A  97
ALA A 141
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
PHE A 147
GLY A 100
LEU A 101
GLN A  97
ALA A 141
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6wen NSP3
(SARS-CoV-2)		5 / 10
GLY A 130
PHE A 132
LEU A 127
ALA A  38
ALA A  52
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wey NSP3
(SARS-CoV-2)		5 / 11
LEU A 247
GLY A 301
LEU A 331
ALA A 254
PHE A 320
1.40A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wey NSP3
(SARS-CoV-2)		5 / 11
LEU A 247
GLY A 301
LEU A 331
ALA A 254
PHE A 320
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU C6883
GLY C6871
ALA C6905
ASP C6904
SER C6903
1.67A
None
SAH  C7102 (-4.4A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A6855
GLY A6963
LEU A6959
LEU A6852
ALA A6966
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		6 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
LEU B4298
PHE A7003
1.72A
None
None
None
None
FMT  B4403 (-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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU C7042
LEU C6848
GLN C6847
PHE C7048
PHE C7003
1.51A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU C6855
GLY C6963
LEU C6959
LEU C6852
ALA C6966
1.56A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A6883
GLY A6871
ALA A6905
ASP A6904
SER A6903
1.66A
None
SAH  A7102 (-4.4A)
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
PHE A7003
1.51A
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6wjt NSP10
(SARS-CoV-2)		5 / 10
GLY D4362
PHE B4272
ALA D4279
ASP D4282
ALA D4285
1.72A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		6 / 11
LEU C7042
LEU C6848
GLN C6847
PHE C7048
LEU D4298
PHE C7003
1.71A
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6wkq NSP10
(SARS-CoV-2)		5 / 10
GLY B4362
PHE D4272
ALA B4279
ASP B4282
ALA B4285
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wkq NSP16
(SARS-CoV-2)		5 / 11
LEU A6883
GLY A6871
ALA A6905
ASP A6904
SER A6903
1.65A
None
SFG  A7103 ( 4.2A)
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wkq NSP16
(SARS-CoV-2)		5 / 11
LEU C7042
LEU C6848
GLN C6847
PHE C7048
PHE C7003
1.51A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wkq NSP16
(SARS-CoV-2)		5 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
PHE A7003
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wkq NSP16
(SARS-CoV-2)		5 / 11
LEU A6855
GLY A6963
LEU A6959
LEU A6852
ALA A6966
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wkq NSP16
(SARS-CoV-2)		5 / 11
LEU C6883
GLY C6869
ALA C6905
ASP C6904
SER C6903
1.45A
None
SFG  C7103 ( 3.7A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wkq NSP10
NSP16
(SARS-CoV-2)		6 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
LEU B4298
PHE A7003
1.70A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wkq NSP16
(SARS-CoV-2)		5 / 11
LEU C6883
GLY C6871
ALA C6905
ASP C6904
SER C6903
1.67A
None
SFG  C7103 ( 4.1A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wkq NSP10
NSP16
(SARS-CoV-2)		6 / 11
LEU C7042
LEU C6848
GLN C6847
PHE C7048
LEU D4298
PHE C7003
1.72A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wkq NSP16
(SARS-CoV-2)		5 / 11
LEU C6855
GLY C6963
LEU C6959
LEU C6852
ALA C6966
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6wkq NSP10
(SARS-CoV-2)		5 / 10
GLY D4362
PHE B4272
ALA D4279
ASP D4282
ALA D4285
1.72A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 11
GLY A 126
LEU A 143
GLN A 131
ALA A  81
PHE A 135
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 11
GLY B 126
LEU B 143
GLN B 131
ALA B  81
PHE B 135
1.74A
ACT  B 408 (-4.2A)
None
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.41A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.49A
U5G  A 401 (-3.0A)
U5G  A 401 ( 4.0A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.40A
U5G  A 401 (-3.0A)
U5G  A 401 ( 4.0A)
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
LEU A 141
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.78A
None
U5G  A 401 ( 4.0A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
LEU C 109
GLY C  79
LEU C  75
LEU C 127
ALA C  38
1.75A
None
None
None
None
APR  C 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
LEU A 109
GLY A  79
LEU A  75
LEU A 127
ALA A  38
1.78A
None
None
None
None
APR  A 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
LEU D 109
GLY D  79
LEU D  75
LEU D 127
ALA D  38
1.77A
None
None
None
None
APR  D 201 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
LEU B 109
GLY B  79
LEU B  75
LEU B 127
ALA B  38
1.74A
None
None
None
None
APR  B 201 (-3.3A)
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A6883
GLY A6871
ALA A6905
ASP A6904
SER A6903
1.67A
None
SAH  A7101 (-4.3A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A6855
GLY A6963
LEU A6959
LEU A6852
ALA A6966
1.58A
8NK  A7103 (-3.6A)
None
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
PHE A7003
1.51A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		6 / 11
LEU A7042
LEU A6848
GLN A6847
PHE A7048
LEU B4298
PHE A7003
1.72A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.38A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 11
PHE A 147
GLY A 100
LEU A 101
GLN A  97
ALA A 141
1.78A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 11
PHE A 147
GLY A 100
LEU A 101
GLN A  97
ALA A 141
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 11
LEU A 185
GLY A 201
LEU A 178
SER A 239
PHE A 173
1.65A
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 10
GLY A 142
GLN A  97
ALA A 288
SER A 103
ALA A 114
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 11
LEU A  87
LEU A 132
PHE A  79
ALA A 153
PHE A 127
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.72A14.50
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.47A14.50
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.59A14.50
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.38A14.50
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
GLU E 516
PHE E 429
ASP E 398
SER E 514
ALA E 397
1.48A18.63
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
GLU E 516
PHE E 429
ASP E 398
SER E 514
ALA E 397
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 11
LEU L 141
LEU L 207
ALA L 118
SER L 120
PHE L 122
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.72A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.43A
P6N  A 502 ( 4.4A)
None
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.35A
P6N  A 502 ( 4.4A)
None
None
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
GLU A 516
PHE A 429
ASP A 398
SER A 514
ALA A 397
1.50A
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
GLU A 516
PHE A 429
ASP A 398
SER A 514
ALA A 397
1.49A17.75
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
GLU E 516
PHE E 429
ASP E 398
SER E 514
ALA E 397
1.49A17.75
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
GLU E 516
PHE E 429
ASP E 398
SER E 514
ALA E 397
1.50A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.66A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.78A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU D 109
GLY D  79
LEU D  75
LEU D 127
ALA D  38
1.78A
EDO  D 204 ( 4.5A)
None
None
None
EDO  D 205 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU E 109
GLY E  79
LEU E  75
LEU E 127
ALA E  38
1.78A
None
EPE  E 203 (-3.3A)
EPE  E 203 (-3.6A)
None
EPE  E 202 (-3.3A)
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU C 109
GLY C  79
LEU C  75
LEU C 127
ALA C  38
1.79A
None
EPE  C 202 (-3.4A)
EPE  C 202 (-3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
GLY E 130
PHE E 132
LEU E 127
ALA E  38
ALA E  50
1.78A
EPE  E 202 ( 4.5A)
EPE  E 202 (-3.2A)
None
EPE  E 202 (-3.3A)
EPE  E 202 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU A 109
GLY A  79
LEU A  75
LEU A 127
ALA A  38
1.77A
None
None
None
EDO  A 202 ( 4.8A)
EDO  A 202 (-3.3A)
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
GLY A 130
PHE A 132
LEU A 127
ALA A  38
ALA A  50
1.77A
EDO  A 202 ( 4.4A)
EDO  A 202 (-3.9A)
EDO  A 202 ( 4.8A)
EDO  A 202 (-3.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU B 109
GLY B  79
LEU B  75
LEU B 127
ALA B  38
1.77A
None
None
None
None
APR  B 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU C 109
GLY C  79
LEU C  75
LEU C 127
ALA C  38
1.76A
None
None
None
None
APR  C 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU E 109
GLY E  79
LEU E  75
LEU E 127
ALA E  38
1.76A
None
None
None
None
APR  E 201 (-3.3A)
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU D 109
GLY D  79
LEU D  75
LEU D 127
ALA D  38
1.74A
None
EDO  D 203 (-3.1A)
EDO  D 202 (-4.6A)
None
APR  D 201 (-3.3A)
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU A 109
GLY A  79
LEU A  75
LEU A 127
ALA A  38
1.74A
None
None
None
None
APR  A 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU C 109
GLY C  79
LEU C  75
LEU C 127
ALA C  38
1.79A
None
None
None
None
MES  C 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
LEU A 109
GLY A  79
LEU A  75
LEU A 127
ALA A  38
1.79A
None
EDO  A 204 (-3.6A)
None
None
MES  A 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.70A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.39A
PJE  C   5 (-3.1A)
PJE  C   5 (-4.2A)
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.55A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.48A
PJE  C   5 (-3.1A)
PJE  C   5 (-4.2A)
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7btf NSP12
(SARS-CoV-2)		5 / 11
PHE A  45
GLY A 712
GLN A 724
ALA A 706
SER A 709
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7btf NSP12
(SARS-CoV-2)		5 / 11
PHE A  45
GLY A 712
GLN A 724
ALA A 706
SER A 709
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7btf NSP8
(SARS-CoV-2)		5 / 11
LEU B 153
GLY B 144
LEU B 169
PHE B 147
ALA B 188
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		7btf NSP12
(SARS-CoV-2)		5 / 10
PHE A  45
GLY A 712
GLN A 724
ALA A 706
SER A 709
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7btf NSP12
(SARS-CoV-2)		5 / 11
LEU A 527
PHE A 506
LEU A 372
ALA A 376
SER A 561
1.72A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 179
LEU A 177
GLU A 178
GLN A  83
PHE A 103
1.53A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.46A
JRY  A 401 (-3.3A)
None
None
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.37A
JRY  A 401 (-3.3A)
None
None
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7bv1 NSP8
(SARS-CoV-2)		5 / 11
LEU B 153
GLY B 144
LEU B 169
PHE B 147
ALA B 188
1.80A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
LEU A 673
GLY A 327
ALA A 379
ASP A 377
SER A 343
1.77A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7bv1 NSP8
(SARS-CoV-2)		5 / 11
LEU B 153
GLY B 144
LEU B 169
PHE B 147
ALA B 188
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
PHE A  45
GLY A 712
GLN A 724
ALA A 706
SER A 709
1.80A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 11
LEU B  91
GLU A 370
PHE A 506
ALA A 376
ASP A 377
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
LEU A 527
PHE A 506
LEU A 372
ALA A 376
SER A 561
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7bv2 NSP12
NSP7
(SARS-CoV-2)		5 / 11
LEU C  40
GLY A 839
LEU A 838
PHE A 415
SER C   4
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
PHE A  45
GLY A 712
GLN A 724
ALA A 706
SER A 709
1.77A
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
PHE A  45
GLY A 712
GLN A 724
LEU A 707
ALA A 706
1.80A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
PHE A  45
GLY A 712
GLN A 724
ALA A 706
SER A 709
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
GLY A 712
GLN A 724
ALA A 706
SER A 709
PHE A  48
1.78A
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
LEU A 891
GLY A 841
LEU A 838
ALA A 863
PHE A 428
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 11
LEU B  91
GLU A 370
PHE A 506
ALA A 376
ASP A 377
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
PHE A  45
GLY A 712
GLN A 724
ALA A 706
SER A 709
1.75A
None