Ligand ID: UEG


Drugbank ID:
DB00165
(Pyridoxine)


Indication:
Pyridoxine is indicated for the treatment of vitamin B6 deficiency and for the prophylaxis of [DB00951]-induced peripheral neuropathy. It is also approved by Health Canada for the treatment of nausea and vomiting in pregnancy in a combination product with [DB00366] (as the commercially available product Diclectin).

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'UEG' 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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY A  29
ALA A 145
GLY A 146
VAL A  20
HIS A  41
1.42A20.50
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A  29
ALA A 145
GLY A 146
VAL A  20
HIS A  41
1.45A20.50
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY A  29
ALA A 145
GLY A 146
VAL A  20
HIS A  41
1.48A20.50
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
(Homo
sapiens)		5 / 11
GLY H  50
ASP L  95
ALA H  60
GLY H  49
VAL H  37
1.71A22.38
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 10
GLY C  69
ALA C  61
VAL D  42
CYH C  46
HIS C  48
1.74A19.40
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 10
ASP A 106
ALA A 108
VAL A 101
VAL A 121
CYH A 116
1.69A22.99
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 11
ASP A 106
ALA A 108
VAL A 101
VAL A 121
CYH A 116
1.68A22.99
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 10
ASP A 106
ALA A 108
VAL A 101
VAL A 121
CYH A 116
1.62A22.99
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2kys NSP7
(SARSr-CoV)		5 / 10
ALA A  67
GLY A  66
VAL A  24
MET A  64
VAL A  60
1.78A13.67
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
ASP D 106
ALA D 108
VAL D 101
VAL D 121
CYH D 116
1.57A22.59
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
ASP D 106
ALA D 108
VAL D 101
VAL D 121
CYH D 116
1.53A22.59
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
ASP D 106
ALA D 108
VAL D 101
VAL D 121
CYH D 116
1.59A22.59
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
ASP A 106
ALA A 108
VAL A 101
VAL A 121
CYH A 116
1.66A22.43
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
ASP A 106
ALA A 108
VAL A 101
VAL A 121
CYH A 116
1.68A22.43
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
ASP A 106
ALA A 108
VAL A 101
VAL A 121
CYH A 116
1.60A22.43
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2xyq NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
GLY A  77
ALA A  72
GLY A  73
VAL A 104
VAL B  42
1.67A23.34
None
None
SAH  A1293 (-4.1A)
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2xyq NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
GLY A  77
ALA A  72
GLY A  73
VAL A 104
VAL B  42
1.69A23.34
None
None
SAH  A1293 (-4.1A)
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2xyv NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
GLY A  77
ALA A  72
GLY A  73
VAL A 104
VAL B  42
1.67A23.34
None
None
SAH  A1300 (-4.1A)
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		2xyv NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
GLY A  77
ALA A  72
GLY A  73
VAL A 104
VAL B  42
1.69A23.34
None
None
SAH  A1300 (-4.1A)
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		5 / 10
GLY A  77
ALA A  72
GLY A  73
VAL A 104
VAL B  42
1.65A22.71
None
None
SAM  A 302 (-4.1A)
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY A  29
ALA A 145
GLY A 146
VAL A  20
HIS A  41
1.38A20.54
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY A  29
ALA A 145
GLY A 146
VAL A  20
HIS A  41
1.36A20.54
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY A  29
ALA A 145
GLY A 146
VAL A  20
HIS A  41
1.41A20.54
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
GLY B 413
ALA B 430
GLY B 417
VAL B 263
VAL B 287
1.71A19.81
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
GLY B  88
ASP B  90
ALA B 270
GLY B 110
CYH B 272
1.59A19.96
None
MG  B 604 (-3.0A)
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
GLY B  88
ASP B  90
ALA B 270
GLY B 110
CYH B 272
1.58A19.96
None
MG  B 604 (-3.0A)
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
GLY A 416
ASP A 415
GLY A 417
VAL A 263
CYH A 279
1.79A19.48
None
None
None
None
ZN  A 602 (-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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
GLY B1017
ASP A1023
ALA B 872
GLY B 871
VAL A1022
1.74A12.62
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
GLY A1017
ASP C1023
ALA A 872
GLY A 871
VAL C1022
1.75A12.62
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
GLY B1017
ASP A1023
ALA B 872
GLY B 871
VAL A1022
1.75A12.62
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
GLY B1026
ASP B1023
ALA A 872
GLY B1028
LYS A 768
1.34A13.05
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.
5EB3_A_UEGA202_1
(YFIR)		6acj ACE2
(Homo
sapiens)		4 / 4
LEU D 439
ILE D 436
PRO D 590
LEU D 595
1.76A14.08
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ALA A1038
GLY A1041
VAL A 763
MET A 709
VAL A 708
1.65A12.76
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ALA A1038
GLY A1041
VAL A 763
MET A 709
VAL A 708
1.69A12.76
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		6jyt HELICASE
(SARSr-CoV)		5 / 10
GLY B 203
ASP B 207
GLY B 206
VAL B 209
VAL B 484
1.62A18.82
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ALA C1038
GLY C1041
VAL C 763
MET C 709
VAL C 708
1.77A12.90
None