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' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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_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_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)		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_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_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)		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)		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