Ligand ID: QI9


Drugbank ID:
DB00468
(Quinine)


Indication:
For the treatment of malaria and leg cramps

Get human targets for QI9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'QI9' 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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 9
PHE A 150
GLU A  14
VAL B 125
VAL A 125
LEU B 115
1.73A21.13
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 9
PHE B   3
LEU B 282
LEU A 141
SER A 139
VAL B 296
1.62A21.13
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
TRP A  30
THR A  54
GLY A 125
PHE A  88
GLY A  92
1.75A18.45
20.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		1uj1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
PHE B   3
LEU B 282
SER B   1
VAL B 296
1.38A22.34
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE B1003
LEU B1282
LEU A 141
SER A 139
VAL B1296
1.67A22.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA B1007
SER B1113
GLY B1124
GLY A  11
PRO B1009
1.73A22.47
21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE B1150
GLU B1014
VAL A 125
VAL B1125
LEU A 115
1.73A22.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A  27
THR A  35
VAL A  91
VAL A  68
PHE A  66
1.78A22.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		1zvb E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU A  27
GLU B  31
ASP A  28
VAL C  34
VAL C  30
1.78A6.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 9
PHE B 150
GLU B  14
VAL A 125
VAL B 125
LEU A 115
1.73A22.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 9
PHE B   3
LEU B 282
LEU A 141
SER A 139
VAL B 296
1.65A22.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIN_H_QI9H1226_0
(FAB 314.3)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
THR F 485
SER F 432
GLY F 482
GLY B 352
LEU B  45
1.72A19.49
23.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE A   3
LEU A 282
LEU B 141
SER B 139
VAL A 296
1.51A20.95
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE B 150
GLU B  14
VAL A 125
VAL B 125
LEU A 115
1.72A20.95
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
ALA B 306
GLY A 317
PHE A 315
GLY A 322
LEU B 354
1.74A17.70
21.27
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
ALA B  39
SER B 129
GLY B  80
PHE B 117
LEU B 110
1.67A20.60
18.92
APR  B 477 (-3.5A)
APR  B 477 (-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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU E 377
LEU C 355
SER E 370
VAL C 497
PHE C 325
1.62A16.95
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2gri NSP3
(SARSr-CoV)		5 / 9
LEU A  90
SER A  41
THR A  65
VAL A  63
LEU A  66
1.44A13.68
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		2gt7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE A   3
LEU A 282
LEU B 141
SER B 139
VAL A 296
1.60A22.34
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 7
PHE A 179
LEU A 142
SER A 154
VAL A 148
1.44A21.31
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		2idy NSP3
(SARSr-CoV)		4 / 7
SER A 106
THR A  87
VAL A  58
PHE A  54
1.40A13.68
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2kaf NSP3
(SARSr-CoV)		5 / 9
SER A  46
THR A  43
VAL A  30
VAL A   7
LEU A  44
1.72A9.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		4 / 7
PHE A 111
SER A  52
THR A 116
VAL A 134
1.37A14.50
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 9
PHE A 150
GLU A  14
VAL B 125
VAL A 125
LEU B 115
1.72A20.96
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 9
PHE B   3
LEU B 282
LEU A 141
SER A 139
VAL B 296
1.69A20.96
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
PHE D 179
LEU D 142
GLU D 145
VAL D 148
1.28A23.13
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 9
PHE A   3
LEU A 282
LEU B 141
SER B 139
VAL A 296
1.58A22.13
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 9
LEU A  27
THR A  35
VAL A  91
VAL A  68
PHE A  66
1.74A22.13
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 9
LEU A  27
THR A  35
VAL A  91
VAL A  68
PHE A  66
1.75A22.13
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 9
PHE B 150
GLU B  14
VAL A 125
VAL B 125
LEU A 115
1.72A21.61
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
PHE F 179
LEU F 142
SER F 154
VAL F 148
1.36A23.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 9
GLU B 170
THR A 281
VAL B 162
VAL B 172
LEU B 167
1.65A23.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIN_H_QI9H1226_0
(FAB 314.3)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
HIS A 172
SER A 144
GLY A 170
GLY B   2
LEU A 141
1.74A22.74
21.75
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		2wct NSP3
(SARSr-CoV)		5 / 12
THR B 502
GLU B 499
GLY B 489
LEU B 471
PRO B 488
1.76A22.63
22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE A   3
LEU A 282
LEU B 141
SER B 139
VAL A 296
1.65A21.70
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
HIS H  35
ALA H  50
GLU H  95
GLY H  96
GLN L  90
1.37A84.62
27.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZNC_A_QI9A301_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3bgf F26G19 FAB
(Mus
musculus)		6 / 9
SER B  82
TYR B  90
VAL B  18
GLU B  81
MET B  80
ASP B  86
1.54A20.45
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE A   3
LEU A 282
LEU B 141
SER B 139
VAL A 296
1.67A22.34
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE B 150
GLU B  14
VAL A 125
VAL B 125
LEU A 115
1.70A22.34
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 12
HIS D  70
GLY F   0
PHE D   9
GLY D 100
LEU D 156
1.51A22.61
23.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE A   3
LEU A 282
LEU B 141
SER B 139
VAL A 296
1.68A21.70
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A  27
THR A  35
VAL A  91
VAL A  68
PHE A  66
1.74A19.96
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A  27
THR A  35
VAL A  91
VAL A  68
PHE A  66
1.75A19.96
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		3sci ACE2
(Homo
sapiens)		4 / 7
PHE A 588
LEU A 584
VAL A 447
PHE A 274
1.40A21.91
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		3sci ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
THR E 485
SER E 432
GLY E 482
GLY A 352
LEU A  45
1.78A22.22
21.51
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
PHE A 588
LEU A 584
VAL A 447
PHE A 274
1.41A22.69
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		3sn8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A  27
THR A  35
VAL A  91
VAL A  68
PHE A  66
1.67A22.34
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		3sn8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A  27
THR A  35
VAL A  91
VAL A  68
PHE A  66
1.69A22.34
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		3snd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
SER B 139
GLY A 215
GLN A 256
GLY A 302
LEU B 141
1.73A22.47
21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 298
SER B 301
GLY A 124
GLY A 138
LEU A 141
1.69A22.36
21.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		5 / 9
PHE B  45
LEU B  67
THR A 198
VAL A 188
LEU A 186
1.64A8.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 9
PHE A 148
LEU A 133
VAL A 116
VAL A 173
LEU A 113
1.72A22.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE A 150
GLU A  14
VAL B 125
VAL A 125
LEU B 115
1.71A21.84
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
PHE B 150
GLU B  14
VAL A 125
VAL B 125
LEU A 115
1.70A21.70
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 9
PHE B 183
LEU B 185
THR B 215
VAL B 236
PHE A  19
1.73A22.14
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 7
PHE D 183
LEU D 185
THR D 215
PHE C  19
1.39A22.14
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 9
PHE B 183
LEU B 185
THR B 215
VAL B 236
PHE A  19
1.65A22.14
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 9
PHE B 183
LEU B 185
THR B 215
VAL B 236
PHE A  19
1.71A22.14
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 9
PHE B 183
LEU B 185
THR B 215
VAL B 236
PHE A  19
1.64A22.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 7
PHE D 183
LEU D 185
THR D 215
PHE C  19
1.33A22.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 9
PHE B 183
LEU B 185
THR B 215
VAL B 236
PHE A  19
1.58A22.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 9
PHE B 183
LEU B 185
THR B 215
VAL B 236
PHE A  19
1.67A22.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
TRP B 247
ALA B 281
GLY B 248
GLN B 259
LEU B 253
1.62A18.54
17.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		5 / 9
PHE E  45
LEU E  67
THR D 198
VAL D 188
LEU D 186
1.67A8.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 9
PHE D 183
LEU D 185
THR D 215
VAL D 236
PHE O  19
1.74A22.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIN_H_QI9H1226_0
(FAB 314.3)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
TRP A 159
GLY A 156
GLY A  93
LEU A 109
PRO A 106
1.70A18.83
18.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 9
PHE B 183
LEU B 185
THR B 215
VAL B 236
PHE N  19
1.79A22.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
TRP C 247
ALA C 281
GLY C 248
GLN C 259
LEU C 253
1.58A18.44
17.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU A 978
SER A 728
THR C 533
VAL A 958
PHE C 558
1.65A17.04
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR B 302
SER C 750
GLY B 579
GLY B 634
LEU C 843
1.76A10.63
11.78
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU A 978
SER A 728
THR C 533
VAL A 958
PHE C 558
1.79A17.04
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		4 / 7
PHE B  23
LEU B  19
VAL C  25
PHE C  23
1.39A10.82
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
PHE A 130
LEU A 132
THR A 160
PHE A 103
LEU A 224
1.73A21.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA A  91
GLU A 184
GLY A 199
GLY A 212
PRO A 210
1.67A20.00
22.46
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
LEU C 978
SER C 728
THR B 533
VAL C 958
PHE B 558
1.52A16.69
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
SER A 556
GLY B 726
PHE A 578
GLY A 536
PRO A 575
1.70A11.07
11.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
LEU C 978
SER C 728
THR B 533
VAL C 958
PHE B 558
1.44A16.69
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
LEU C 978
SER C 728
THR B 533
VAL C 958
PHE B 558
1.50A16.69
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
PHE A 305
LEU A 615
SER A 577
VAL A 581
1.24A16.69
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5x5f S PROTEIN
(MERS-CoV)		4 / 7
PHE B 164
GLU A 549
SER B 151
VAL B 109
1.26A15.85
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
ALA A 113
GLN B 819
GLN A  72
LEU A  74
PRO A 320
1.30A10.95
10.46
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
LEU B 222
GLU B 162
VAL B 114
PHE B 161
1.26A17.04
LEU  B 222 ( 0.6A)
GLU  B 162 ( 0.5A)
VAL  B 114 ( 0.6A)
PHE  B 161 ( 1.3A)
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA A 251
GLY A 255
GLY A 212
LEU A 182
PRO A 210
1.59A10.87
11.77
ALA  A 251 ( 0.0A)
GLY  A 255 ( 0.0A)
GLY  A 212 ( 0.0A)
LEU  A 182 ( 0.6A)
PRO  A 210 ( 1.1A)
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
PHE C 238
SER C 239
VAL C 172
VAL C  97
PHE C 138
1.60A16.96
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
PHE B1044
LEU B1016
THR B1009
VAL B 763
VAL B1042
1.46A16.96
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR A 533
SER C 964
PHE A 316
GLY A 512
LEU A 377
1.79A11.05
11.78
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY C 953
GLN C 947
GLN B 744
GLY B 739
LEU B 983
1.50A10.79
11.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ack ACE2
(Homo
sapiens)		5 / 12
HIS D 373
ALA D 412
SER D 411
GLY D 377
GLY D 319
1.55A17.57
15.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
PHE B 238
SER B 239
VAL B 172
VAL B  97
PHE B 138
1.61A16.96
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
LEU A 257
SER A  35
VAL A 186
PHE A  89
1.29A16.96
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		6ack ACE2
(Homo
sapiens)		5 / 9
PHE D 464
GLU D 457
ASP D 198
VAL D 506
PHE D 512
1.72A21.91
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
PHE C 130
LEU C 132
THR C 160
PHE C 103
LEU C 224
1.68A16.82
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY A 839
GLN C 301
GLN C 599
GLY C 580
LEU A 843
1.75A11.04
11.76
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
LEU B 194
SER B 113
THR B 106
PHE B 231
1.44A16.82
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER C 556
GLY A 726
PHE C 578
GLY C 536
PRO C 575
1.41A11.42
12.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
PHE B 130
LEU B 132
THR B 160
PHE B 103
1.21A16.82
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
PHE C1044
LEU C1016
THR C1009
VAL C 763
VAL C1042
1.52A16.82
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ALA A 864
SER A 861
GLY A 780
PHE A 909
GLN A 786
1.62A11.04
11.76
None
None
None
None
NAG  A1314 (-4.2A)
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
PHE B 130
LEU B 132
THR B 160
PHE B 103
LEU B 224
1.43A16.82
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
LEU A 519
ASP A 518
SER A 516
VAL A 525
PHE A 527
1.77A16.82
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
SER B  55
GLY A 237
ARG A 239
PHE A 241
LEU A  32
1.71A18.34
20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6jyt HELICASE
(SARSr-CoV)		5 / 12
ALA A 487
SER A 517
GLY A 478
GLN A 548
PRO A 514
1.74A19.60
16.50
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6m0j ACE2
(Homo
sapiens)		5 / 9
LEU A 240
THR A 229
VAL A 581
PHE A 523
LEU A 520
1.55A21.91
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
LEU A 286
LEU A  78
SER A 278
THR A 313
VAL A 306
1.64A21.60
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
PHE A 277
LEU A 494
SER A 278
VAL A 125
1.22A21.60
LEU  A 707 (-3.3A)
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
SER C  64
GLY C 397
GLN C 274
GLY C  53
LEU C  61
1.71A15.75
13.69
None
None
None
LEU  C 707 ( 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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
PHE C 255
LEU C 254
VAL C 315
PHE C  74
LEU C  75
1.58A21.60
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
SER A  64
ARG A  57
GLY A  53
LEU A  61
PRO A  59
1.53A16.14
16.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m1d ACE2
(Homo
sapiens)		4 / 7
PHE D 588
LEU D 584
VAL D 447
PHE D 274
1.41A18.89
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6m1d ACE2
(Homo
sapiens)		5 / 12
ALA D 384
GLY D 377
PHE D 555
GLN D 552
GLY D 319
1.50A14.49
14.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
PHE A 325
VAL A 497
VAL A 328
PHE A 360
LEU A 421
1.54A17.61
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
PHE B1044
LEU B1016
THR B1009
VAL B 763
VAL B1042
1.54A17.61
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
ALA H 151
SER H 144
GLY H 148
GLN H 206
LEU H 203
1.73A53.51
27.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 9
PHE H 180
LEU L 141
VAL L 138
VAL H 195
PHE L 121
1.66A18.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6nur NSP12
NSP8
(SARSr-CoV)		5 / 9
LEU B  91
SER A 384
VAL A 330
VAL A 342
LEU B 117
1.25A17.75
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.
5ZNC_A_QI9A301_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		6nur NSP12
(SARSr-CoV)		5 / 9
VAL A 588
GLY A 616
VAL A 763
MET A 756
ASP A 761
1.80A14.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6nur NSP12
(SARSr-CoV)		5 / 12
ALA A 250
GLU A 180
GLN A 210
GLY A 214
LEU A 186
1.63A13.15
12.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6nus NSP12
(SARSr-CoV)		4 / 7
LEU A 187
GLU A 254
THR A 248
PHE A 317
1.28A18.51
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6vw1 ACE2
(Homo
sapiens)		5 / 9
LEU B 240
THR B 229
VAL B 581
PHE B 523
LEU B 520
1.57A21.50
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6vw1 ACE2
(Homo
sapiens)		4 / 7
PHE A 588
LEU A 584
VAL A 447
PHE A 274
1.40A21.50
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
PHE H 166
SER L 177
VAL H 181
PHE L 116
1.71A14.07
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 7
LEU H 124
SER H 127
THR H 135
VAL H 181
1.79A14.07
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
LEU L 175
SER L 159
THR L 180
PHE L 118
1.64A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 9
PHE L 118
LEU L 135
LEU H 189
SER H 127
VAL H 211
1.48A16.25
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
TRP H  36
ALA H  78
GLY H  49
GLY H  95
LEU H   4
1.45A53.99
22.22
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
ALA H  78
SER H  21
GLY H  94
PHE H  29
GLY H  26
1.68A53.99
22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
GLU L 161
SER L 159
THR L 180
VAL H 169
1.71A16.25
None
None
None
GOL  L 301 (-4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
LEU L 181
SER L 165
THR L 186
PHE L 124
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
PHE H 170
SER L 183
VAL H 185
PHE L 122
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
PHE B 170
SER C 183
VAL B 185
PHE C 122
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 7
GLU C 167
SER C 165
THR C 186
VAL B 173
PHE B 170
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
TRP H  36
ALA H  79
GLY H  49
GLY H  99
LEU H   4
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY H  42
GLN L 106
GLN L   6
GLY L 107
LEU H  45
1.72A
1PE  L1603 ( 4.5A)
None
None
1PE  L1603 (-4.3A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
LEU C 181
SER C 165
THR C 186
PHE C 124
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY B  42
GLN C 106
GLN C   6
GLY C 107
LEU B  45
1.66A
1PE  C 301 (-4.6A)
None
None
1PE  C 301 (-3.7A)
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
ALA L  86
SER L 174
GLN L  43
GLN L  48
GLY B  26
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ALA H  79
SER H  21
GLY H  98
PHE H  29
GLY H  26
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ALA B  79
SER B  21
GLY B  98
PHE B  29
GLY B  26
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
TRP B  36
ALA B  79
GLY B  49
GLY B  99
LEU B   4
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 9
GLU H  16
SER H  85
VAL H 115
VAL H 117
LEU H  18
1.80A17.63
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
TRP H  36
ALA H  79
GLY H  49
GLY H  99
LEU H   4
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 9
PHE H 170
LEU L 142
VAL L 139
VAL H 185
PHE L 122
1.67A17.63
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 7
GLU L 167
SER L 165
THR L 186
VAL H 173
PHE H 170
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY H  42
GLN L 106
GLN L   6
GLY L 107
LEU H  45
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
ALA H  79
SER H  21
GLY H  98
PHE H  29
GLY H  26
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
PHE H 170
SER L 183
VAL H 185
PHE L 122
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 9
PHE H 170
LEU L 142
THR L 184
VAL H 185
PHE L 122
1.67A17.63
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 7
LEU L 181
SER L 165
THR L 186
PHE L 124
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
TRP H  36
ALA H  79
GLY H  49
GLY H  99
LEU H   4
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ALA H  79
SER H  21
GLY H  98
PHE H  29
GLY H  26
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
TRP B  36
ALA B  79
GLY B  49
GLY B  99
LEU B   4
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
GLY B  42
GLN C 106
GLN C   6
GLY C 107
LEU B  45
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
LEU L 181
SER L 165
THR L 186
PHE L 124
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 7
PHE B 170
SER C 183
VAL B 185
PHE C 122
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
LEU C 181
SER C 165
THR C 186
PHE C 124
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
GLY H  42
GLN L 106
GLN L   6
GLY L 107
LEU H  45
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 7
PHE H 170
SER L 183
VAL H 185
PHE L 122
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ALA B  79
SER B  21
GLY B  98
PHE B  29
GLY B  26
1.62A
None