Ligand ID: CE9


Drugbank ID:
DB06811
(Polidocanol)


Indication:
Polidocanol is a sclerosing agent indicated to treat uncomplicated spider veins and uncomplicated reticular veins in the lower extremity.

Get human targets for CE9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CE9' 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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ALA A 702
ALA A 706
THR A 710
TYR A 748
LEU A 775
1.61A16.39
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ALA A 863
LEU A 862
PHE A 594
TYR A 915
PRO A 830
1.54A16.39
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		6 / 12
LEU C1001
THR C1006
PHE A 759
TYR A 756
LEU A1001
THR A 998
1.50A16.86
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		6 / 12
LEU A1001
THR A1006
PHE B 759
TYR B 756
LEU B1001
THR B 998
1.48A15.60
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		6 / 12
LEU C1001
THR C1006
PHE A 759
TYR A 756
LEU A1001
THR A 998
1.48A15.60
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ALA B 153
LEU B 150
ALA B 149
THR B  90
THR B 158
1.72A20.70
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ALA B 149
LEU B 152
ALA B 153
PHE B  79
TYR B  72
1.48A20.70
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ALA A  86
LEU A 152
ALA A 153
TYR A  56
LEU A  80
1.48A20.70
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ALA B 149
LEU B 152
ALA B 153
PHE B  79
LEU B  80
1.60A20.70
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ALA C  86
LEU C 152
ALA C 153
TYR C  56
LEU C  80
1.40A20.70
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		6 / 12
ALA C 149
LEU C 152
ALA C 153
PHE C  79
TYR C  72
LEU C  80
1.64A20.70
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
MET B  84
ALA B  39
PHE B  55
TYR B  27
THR B  34
1.78A20.70
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		6 / 12
ALA A 149
LEU A 152
ALA A 153
PHE A  79
TYR A  72
LEU A  80
1.69A20.70
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ALA B  86
LEU B 152
ALA B 153
PHE B  79
TYR B  72
1.75A20.70
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 12
ALA A 108
LEU A 112
THR A  77
PHE A  75
LEU A  45
1.77A17.90
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6wiq NSP8
(SARS-CoV-2)		5 / 12
ALA B 191
LEU B 153
ALA B 152
LEU B 122
PRO B 121
1.73A15.95
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6wqd NSP8
(SARS-CoV-2)		5 / 12
ALA B 191
LEU B 153
ALA B 152
THR B 124
PRO B 121
1.58A15.95
None
None
EDO  B 302 ( 4.3A)
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6wqd NSP8
(SARS-CoV-2)		5 / 12
ALA D 191
LEU D 153
ALA D 152
LEU D 122
PRO D 121
1.71A15.95
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6wqd NSP8
(SARS-CoV-2)		5 / 12
ALA B 191
LEU B 153
ALA B 152
LEU B 122
PRO B 121
1.78A15.95
None
None
EDO  B 302 ( 4.3A)
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
ALA A  86
LEU A 152
ALA A 153
TYR A  56
LEU A  80
1.47A21.07
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
ALA A 149
LEU A 152
ALA A 153
PHE A  79
LEU A  80
1.51A21.07
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
ALA A 149
LEU A 152
ALA A 153
PHE A  79
TYR A  72
1.52A21.07
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
ALA A  86
LEU A 152
ALA A 153
PHE A  79
TYR A  72
1.80A21.07
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
ALA D 191
LEU D 153
ALA D 152
LEU D 122
PRO D 121
1.78A16.44
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7btf NSP12
(SARS-CoV-2)		5 / 12
ALA A 375
ALA A 376
THR A 538
TYR A 530
LEU A 527
1.70A16.39
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7btf NSP12
(SARS-CoV-2)		5 / 12
ALA A 702
ALA A 706
THR A 710
TYR A 748
LEU A 775
1.61A16.39
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ALA A 702
ALA A 706
THR A 710
TYR A 748
LEU A 775
1.64A16.15
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ALA A 863
LEU A 862
PHE A 594
TYR A 915
THR A 912
1.79A16.15
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ALA A 375
ALA A 376
THR A 538
TYR A 530
LEU A 527
1.70A16.15
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ALA A 863
LEU A 862
PHE A 594
TYR A 915
PRO A 830
1.57A16.15
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 862
PHE A 594
TYR A 915
THR A 912
PRO A 868
1.60A16.15
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ALA A 863
LEU A 862
PHE A 594
TYR A 915
PRO A 830
1.56A16.15
None
U  P  17 ( 4.9A)
C  T  15 ( 4.4A)
U  T  16 ( 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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7bv2 NSP8
(SARS-CoV-2)		5 / 12
LEU B 184
THR B 141
PHE B 147
LEU B 128
THR B 187
1.72A20.63
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ALA A 702
ALA A 706
THR A 710
TYR A 748
LEU A 775
1.56A16.15
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ALA A 863
LEU A 862
PHE A 594
TYR A 915
THR A 912
1.76A16.15
None
U  P  17 ( 4.9A)
C  T  15 ( 4.4A)
U  T  16 ( 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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ALA A 375
ALA A 376
THR A 538
TYR A 530
LEU A 527
1.74A16.15
None