Ligand ID: LNR


Drugbank ID:
DB00368
(Norepinephrine)


Indication:
Mainly used to treat patients in vasodilatory shock states such as septic shock and neurogenic shock and has shown a survival benefit over dopamine. Also used as a vasopressor medication for patients with critical hypotension.

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

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

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


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

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 10
GLU B 290
ILE B 136
ARG B 131
ILE B 106
ASP B 197
1.60A17.04
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLU B 166
HIS B 172
ILE B 136
TYR B 161
ASP B 187
1.59A17.04
ATO  B2006 (-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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.70A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 10
GLU B 290
ILE B 136
ARG B 131
ILE B 106
ASP B 197
1.62A17.04
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		2ajf SPIKE PROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
ILE E 405
VAL E 389
PHE E 387
ASP E 385
1.46A21.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.63A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.63A17.31
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR S 410
ILE S 405
VAL S 389
PHE S 387
ASP S 385
1.50A21.13
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR C 410
ILE C 405
VAL C 389
PHE C 387
ASP C 385
1.53A21.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 10
GLU B 290
ILE B 136
ARG B 131
ILE B 106
ASP B 197
1.63A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.66A16.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.55A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.62A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.67A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU B 290
ILE B 136
ARG B 131
ILE B 106
ASP B 197
1.54A16.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
TYR S 410
ILE S 405
VAL S 389
PHE S 387
ASP S 385
1.47A22.22
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
LEU B 554
HIS B 378
HIS B 374
GLU B 402
1.32A17.89
None
ZN  B 901 (-3.4A)
ZN  B 901 (-3.5A)
ZN  B 901 (-2.3A)
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR F 410
ILE F 405
VAL F 389
PHE F 387
ASP F 385
1.48A22.22
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
ILE E 405
VAL E 389
PHE E 387
ASP E 385
1.45A22.22
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR F 410
ILE F 405
VAL F 389
PHE F 387
ASP F 385
1.45A22.22
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.60A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.54A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.52A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU C 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.34A17.04
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLU A 166
HIS A 172
ILE A 136
TYR A 161
MET A  49
1.71A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR F 410
ILE F 405
VAL F 389
PHE F 387
ASP F 385
1.46A17.98
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
ILE E 405
VAL E 389
PHE E 387
ASP E 385
1.48A21.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR F 410
ILE F 405
VAL F 389
PHE F 387
ASP F 385
1.42A21.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
LEU A 554
HIS A 378
HIS A 374
GLU A 402
1.27A17.74
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.8A)
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
ILE E 405
VAL E 389
PHE E 387
ASP E 385
1.47A22.22
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.61A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU B 290
ILE B 136
ARG B 131
ILE B 106
ASP B 197
1.59A17.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.61A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.39A18.85
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		5c8s NSP10
(SARSr-CoV)		5 / 12
GLU C   6
ARG C  78
TYR C  27
TYR C  30
ASP C 106
1.78A18.29
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
LEU D 468
HIS D 487
HIS D 486
GLU D 490
1.39A20.08
None
ZN  D 603 (-2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCD_B_LNRB2002_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		5 / 12
TYR D 265
TYR D 269
VAL E  70
MET D 209
ASP D 303
1.78A24.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 6
LEU C 253
HIS C 260
HIS C 283
GLU C 284
1.49A19.85
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
GLU M   6
ARG M  78
TYR M  27
TYR M  30
ASP M 106
1.69A17.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DYE_A_LNRA600_1
(D7 PROTEIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 9
GLU M   6
ARG M  78
TYR M  27
TYR M  30
ASP M 106
1.73A16.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.44A21.97
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLU D  52
VAL D   8
TYR D  28
PHE D  56
ASP D  38
1.44A20.06
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.
3DYE_A_LNRA600_1
(D7 PROTEIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
ILE A 955
ARG A 977
TYR C 367
GLU B 972
VAL B 973
1.77A13.14
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
LEU B 182
PHE B 179
HIS B  33
HIS B  70
1.49A14.06
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR A 410
ILE A 405
VAL A 389
PHE A 387
ASP A 385
1.55A8.58
TYR  A 410 ( 1.3A)
ILE  A 405 ( 0.7A)
VAL  A 389 ( 0.6A)
PHE  A 387 ( 1.3A)
ASP  A 385 ( 0.5A)
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR B 410
ILE B 405
VAL B 389
PHE B 387
ASP B 385
1.50A8.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		6acg ACE2
(Homo
sapiens)		4 / 6
LEU D 554
HIS D 378
HIS D 374
GLU D 402
1.08A18.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		6ack ACE2
(Homo
sapiens)		5 / 12
GLU D 457
VAL D 506
TYR D 180
PHE D 464
ASP D 198
1.74A13.02
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ILE A 226
ARG C 342
ILE A 228
GLU C 502
ASP C 385
1.52A9.29
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
LEU B 182
PHE B 179
HIS B  33
HIS B  70
1.51A14.04
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
TYR B 410
ILE B 405
VAL B 389
PHE B 387
ASP B 385
1.54A9.29
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		4 / 6
LEU A  32
PHE A  33
HIS A   9
GLU C   2
1.69A21.86
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.62A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		6lzg ACE2
(Homo
sapiens)		4 / 6
LEU A 554
HIS A 378
HIS A 374
GLU A 402
1.10A18.32
None
ZN  A 704 (-3.3A)
ZN  A 704 (-3.3A)
ZN  A 704 (-2.1A)
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.60A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		6m17 ACE2
(Homo
sapiens)		4 / 6
LEU B 558
HIS B 378
HIS B 374
GLU B 402
1.42A17.36
None
ZN  B 914 (-3.5A)
ZN  B 914 (-3.4A)
ZN  B 914 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
GLU D 290
ILE D 136
ARG D 131
ILE D 106
ASP D 197
1.73A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.67A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 6
LEU A 602
HIS A 810
HIS A 816
GLU A 811
1.64A15.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 787
ILE A 171
TYR A 175
PHE A 134
GLU A 136
1.71A9.54
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ARG A 640
ILE A 696
VAL A 476
GLU A 474
ASP A 304
1.74A9.54
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.
3DYE_A_LNRA600_1
(D7 PROTEIN)		6nur NSP12
(SARSr-CoV)		5 / 9
GLU A 729
ARG A 733
HIS A 725
ASP A 221
VAL A 204
1.63A14.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		6nus NSP12
(SARSr-CoV)		5 / 12
TYR A 787
ILE A 171
TYR A 175
PHE A 134
GLU A 136
1.68A11.47
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR F 423
ILE F 418
VAL F 402
PHE F 400
ASP F 398
1.50A17.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE A 410
VAL A 512
TYR A 423
PHE A 464
ASP A 428
1.68A8.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.62A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.62A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.74A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
GLU B 290
ILE B 136
ARG B 131
ILE B 106
ASP B 197
1.42A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.46A21.97
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.47A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.50A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.62A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 787
ILE A 171
TYR A 175
PHE A 134
GLU A 136
1.75A9.54
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		7btf NSP7
NSP8
(SARS-CoV-2)		5 / 12
GLU C  50
ILE D 120
VAL C  53
TYR D 149
ASP D 101
1.75A19.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.62A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
GLU A 665
TYR A 456
VAL A 667
TYR A 453
ASP A 623
1.74A9.80
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 787
ILE A 171
TYR A 175
PHE A 134
GLU A 136
1.67A9.80
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
LEU A 602
HIS A 810
HIS A 816
GLU A 811
1.50A15.06
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
GLU A 665
TYR A 456
VAL A 667
TYR A 453
ASP A 623
1.75A9.80
None
None
None
None
POP  A1003 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ARG A 640
ILE A 696
VAL A 476
GLU A 474
ASP A 304
1.64A9.80
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 787
ILE A 171
TYR A 175
PHE A 134
GLU A 136
1.74A9.80
None