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-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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		4 / 7
GLY A 120
HIS B  31
HIS A  93
ASP A 119
1.78A22.30
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
GLY E 403
ASP E 393
HIS A  34
ASN E 409
1.41A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 7
ASP D 289
GLY D 288
HIS D 357
ASP D 291
1.26A18.92
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 7
ASP B 289
GLY B 288
HIS B 357
ASP B 291
1.60A18.43
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		2gri NSP3
(SARSr)		4 / 7
ASP A  79
GLY A  77
ASP A  79
ASN A  75
1.22A18.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 7
GLY A 247
HIS A 234
HIS A 242
ASP A 239
1.52A21.64
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		3bgf F26G19 FAB
(Mus
musculus)		4 / 7
ASP C 167
HIS B 166
ASP C 170
ASN C 137
1.75A20.50
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 7
ASP S 480
GLY S 482
ASP A 480
ASN S 437
1.74A22.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		3bgf F26G19 FAB
(Mus
musculus)		4 / 7
GLY H 164
HIS H 166
ASP L 167
ASN L 137
1.64A20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
ASP B 382
ASP B 350
HIS B 378
ASN B 394
1.76A13.32
None
None
ZN  B 901 (-3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
GLY A 183
HIS A 134
ASP B 245
ASP B 248
1.52A21.66
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		4 / 7
GLY E 120
HIS F  31
HIS E  93
ASP E 119
1.71A21.66
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		4 / 7
GLY D 120
HIS E  31
HIS D  93
ASP D 119
1.74A21.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		3scj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
GLY E 403
ASP E 393
HIS A  34
ASN E 409
1.37A22.32
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
ASP A 382
HIS A 401
ASP A 350
ASN A 394
1.73A13.86
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
HIS O  83
ASP O  82
HIS O  80
ASN D 130
1.78A19.11
 ZN  O 201 (-3.1A)
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)		5x4r S PROTEIN
(MERS-CoV)		4 / 7
GLY A 198
ASP A 158
HIS A 194
ASN A 199
1.80A21.39
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
ASP C 560
GLY C 552
ASP C 554
ASP C 572
1.39A10.52
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5x5f S PROTEIN
(MERS-CoV)		4 / 7
GLY A 198
ASP A 158
HIS A 194
ASN A 199
1.79A10.13
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6ack ACE2
(Homo
sapiens)		4 / 7
ASP D 382
ASP D 350
HIS D 378
ASN D 394
1.70A14.14
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
HIS A  70
HIS A  33
ASP A 208
ASN A  29
1.63A10.96
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6cs2 ACE2
SPIKE
GLYCOPROTEIN,FIBRITI
N
(Homo
sapiens;
SARSr-CoV)		4 / 7
GLY B 403
ASP B 393
HIS D  34
ASN B 409
1.61A11.46
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 7
GLY A 120
HIS B  31
HIS A  93
ASP A 119
1.67A20.29
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6m18 ACE2
(Homo
sapiens)		4 / 7
ASP B 382
ASP B 350
HIS B 378
ASN B 394
1.74A14.66
None
None
ZN  B 914 ( 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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 7
GLY L  96
HIS H 112
ASP H 113
HIS H  35
1.75A20.99
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6vw1 ACE2
(Homo
sapiens)		4 / 7
ASP B 382
ASP B 350
HIS B 378
ASN B 394
1.79A13.62
None
None
ZN  B 703 ( 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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
ASP E 406
GLY E 416
HIS A  34
ASN E 422
1.40A23.91
None