Ligand ID: CLU


Drugbank ID:
DB00575
(Clonidine)


Indication:
May be used as an adjunct in the treatment of hypertension, as an epidural infusion as an adjunct treatment in the management of severe cancer pain that is not relieved by opiate analgesics alone, for differential diagnosis of pheochromocytoma in hypertensive patients, prophylaxis of vascular migraine headaches, treatment of severe dysmenorrhea, management of vasomotor symptoms associated with menopause, rapid detoxification in the management of opiate withdrawal, treatment of alcohol withdrawal used in conjunction with benzodiazepines, management of nicotine dependence, topical use to reduce intraocular pressure in the treatment of open-angle and secondary glaucoma and hemorrhagic glaucoma associated with hypertension, and in the treatment of attention-deficit hyperactivity disorder (ADHD).

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CLU' 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.
2PNC_B_CLUB809_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		6m71 NSP12
(SARS-CoV-2)		4 / 6
TYR A 719
ASP A 717
TYR A 770
HIS A 752
1.71A21.32
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		6m71 NSP12
(SARS-CoV-2)		4 / 7
TYR A 719
ASP A 717
TYR A 770
HIS A 752
1.72A21.32
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		6m71 NSP12
(SARS-CoV-2)		4 / 7
ALA A  43
TYR A  38
TYR A 728
HIS A 725
1.53A21.32
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
ALA C 131
TYR C  72
TYR C  71
ASP C 134
1.73A17.91
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
ALA A 131
TYR A  72
TYR A  71
ASP A 134
1.75A19.75
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		7btf NSP12
(SARS-CoV-2)		4 / 7
ALA A  43
TYR A  38
TYR A 728
HIS A 725
1.40A21.32
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		7btf NSP12
(SARS-CoV-2)		4 / 7
TYR A 719
ASP A 717
TYR A 770
HIS A 752
1.70A21.32
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.
2PNC_B_CLUB809_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		7btf NSP12
(SARS-CoV-2)		4 / 6
TYR A 719
ASP A 717
TYR A 770
HIS A 752
1.70A21.32
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.
2PNC_B_CLUB809_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
TYR A 719
ASP A 717
TYR A 770
HIS A 752
1.69A21.59
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
TYR A 719
ASP A 717
TYR A 770
HIS A 752
1.70A21.59
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
ALA A  43
TYR A  38
TYR A 728
HIS A 725
1.35A21.59
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
TYR A 719
ASP A 717
TYR A 770
HIS A 752
1.75A21.59
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
ALA A  43
TYR A  38
TYR A 728
HIS A 725
1.44A21.59
None