Ligand ID: 95Z


Drugbank ID:
DB01296
(Glucosamine)


Indication:
Glucosamine is usually used in the treatment of osteoarthritis, although its efficacy is still in question.

Get human targets for 95Z in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '95Z' 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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY B 744
ASP B 737
ASP B 745
ASN B 856
1.54A10.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
GLY B 248
HIS B 235
HIS B 243
ASP B 240
1.53A19.07
CIT  B 408 (-3.5A)
CIT  B 408 (-4.2A)
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6wen NSP3
(SARS-CoV-2)		4 / 7
GLY A  46
ASP A  66
HIS A  94
ASN A  54
1.73A23.91
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
GLY D 321
ASP C 358
HIS C 356
ASN C 354
1.77A19.28
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
GLY B 321
ASP A 358
HIS A 356
ASN A 354
1.75A19.28
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
GLY E 321
ASP F 358
HIS F 356
ASN F 354
1.72A19.28
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
ASP C  81
GLY B  60
HIS B  59
ASP C  82
1.62A19.63
None
None
ZN  C 201 (-3.3A)
ZN  C 201 (-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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
GLY A 248
HIS A 235
HIS A 243
ASP A 240
1.60A19.89
U5P  A 401 ( 4.5A)
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
GLY A 239
HIS A 235
HIS A 243
ASP A 240
1.79A19.89
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
GLY B 239
HIS B 235
HIS B 243
ASP B 240
1.73A19.89
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
GLY B 248
HIS B 235
HIS B 243
ASP B 240
1.54A19.89
U5P  B 401 ( 4.4A)
None
None
None