Ligand ID: X6X


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 X6X in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'X6X' 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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY H  49
GLY H  50
VAL H  37
ASP H  95
1.37A19.57
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 9
HIS A  70
GLY A  71
GLY A  71
HIS A  70
ASP A  64
1.39A17.68
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 9
ASN A  69
HIS A  72
GLY A  71
GLY A  71
VAL A  74
1.41A17.68
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
GLY A 116
GLY A 116
VAL A   3
HIS A   2
0.88A17.68
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 9
ASN A  69
GLY A  71
GLY A  71
VAL A  74
HIS A  70
1.47A17.68
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 9
HIS A  70
GLY A  71
GLY A  71
HIS A  70
HIS A  72
1.23A17.68
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
HIS A  72
GLY A  71
GLY A  71
VAL A  74
1.04A17.68
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 9
ASN A  69
HIS A  70
GLY A  71
GLY A  71
HIS A  70
1.12A17.68
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		4 / 8
GLU A  30
GLY A  21
GLY A  19
HIS A  34
1.35A17.68
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 9
ASN A 115
HIS A   2
GLY A   1
GLY A   1
HIS A  70
1.28A17.68
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
GLY A   1
GLY A   1
VAL A  74
HIS A  72
0.98A17.68
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 9
HIS A  70
GLY A   1
GLY A   1
HIS A  70
HIS A  72
1.35A17.68
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
GLY A  71
GLY A  71
VAL A  74
HIS A  70
1.05A17.68
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
HIS A  70
GLY A  71
GLY A  71
HIS A  70
0.79A17.68
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 9
HIS A  70
GLY A   1
GLY A  71
HIS A  70
HIS A  72
1.45A17.68
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
HIS A  70
GLY A  71
HIS A  70
HIS A  72
1.03A17.68
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
HIS A  41
VAL A  42
ASP A 187
HIS A 164
1.33A15.86
AZP  A 401 (-3.4A)
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 8
HIS A 249
GLY A 238
VAL A 294
HIS A 234
1.36A17.35
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
HIS D 234
GLY D 246
GLY D 247
HIS D 249
1.33A17.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
GLY A  81
VAL A  78
ASP A  97
HIS A  69
1.14A17.53
SAH  A1293 (-3.6A)
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
GLY A  81
VAL A  78
ASP A  97
HIS A  69
1.14A18.09
SFG  A1298 (-3.5A)
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
GLY A 561
GLY A 395
ASP A 382
HIS A 401
1.33A13.77
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
HIS D  41
VAL D  42
ASP D 187
HIS D 164
1.29A16.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
GLY A  81
VAL A  78
ASP A  97
HIS A  69
1.13A16.23
SAM  A 302 (-3.4A)
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
HIS B 401
GLY B 395
VAL B 404
ASP B 350
1.26A13.41
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.
5BR1_A_X6XA401_1
(ABC TRANSPORTER,
BINDING PROTEIN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ARG B 219
ASP B 201
TYR B 202
HIS B 195
ASN B 194
1.63A20.86
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 8
GLY A 248
GLY A 211
VAL A 310
ASP A 217
1.27A17.13
None
None
PO4  A 404 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 8
HIS B  19
GLY A  70
GLY A  69
ASP B  41
1.37A13.39
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
HIS B 264
GLY B 417
GLY B 413
VAL B 263
1.30A13.56
 ZN  B 602 (-2.5A)
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 8
GLY C  70
GLY C  69
HIS D  19
ASP D  41
1.07A24.54
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
HIS D 264
GLY D 417
GLY D 413
VAL D 263
1.19A13.60
 ZN  D 602 (-3.2A)
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
GLY P  70
GLY P  69
HIS C  19
ASP C  41
1.18A25.45
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
HIS A1030
TYR A1029
GLY A1028
GLY A1026
HIS A1046
1.51A7.04
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.
5F8Y_A_X6XA203_1
(GALNAC/GAL-SPECIFIC
LECTIN)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
HIS A1030
TYR A1029
GLY A1028
GLY A1026
HIS A1046
1.49A7.04
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
GLY A 873
GLY A 871
VAL C1050
ASP C1023
1.19A7.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
HIS A1030
GLY A1028
GLY A1026
HIS A1046
1.26A7.04
HIS  A1030 ( 1.0A)
GLY  A1028 ( 0.0A)
GLY  A1026 ( 0.0A)
HIS  A1046 ( 1.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
HIS C1030
GLY C1028
GLY C1026
HIS C1046
1.18A7.04
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
HIS C1030
TYR C1029
GLY C1028
GLY C1026
HIS C1046
1.44A7.04
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.
5F8Y_A_X6XA203_1
(GALNAC/GAL-SPECIFIC
LECTIN)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
HIS C1030
TYR C1029
GLY C1028
GLY C1026
HIS C1046
1.43A7.04
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		6acg ACE2
(Homo
sapiens)		4 / 8
HIS D 401
GLY D 395
VAL D 404
ASP D 350
1.01A13.43
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.
5F8Y_A_X6XA203_1
(GALNAC/GAL-SPECIFIC
LECTIN)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
HIS B1030
TYR B1029
GLY B1028
GLY B1026
HIS B1046
1.56A7.16
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.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
HIS B1030
TYR B1029
GLY B1028
GLY B1026
HIS B1046
1.57A7.16
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
GLY B 873
GLY B 871
VAL A1050
ASP A1023
1.12A7.16
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		6lzg ACE2
(Homo
sapiens)		4 / 8
GLU A 435
GLY A 537
HIS A 540
HIS A 535
1.32A13.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		6m18 ACE2
(Homo
sapiens)		4 / 8
HIS B 401
GLY B 395
VAL B 404
ASP B 382
1.30A10.44
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
HIS C1030
GLY C1028
GLY C1026
HIS C1046
1.23A7.44
None