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' AND SARS-COV-2 / COVID-19 STRUCTURES

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

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