Ligand ID: HCZ


Drugbank ID:
DB00999
(Hydrochlorothiazide)


Indication:
For the treatment of high blood pressure and management of edema.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'HCZ' 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.
3IJX_D_HCZD800_1
(GLUTAMATE RECEPTOR 2)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		5 / 9
ILE F 934
SER F1196
SER D 929
LEU D 938
SER D 937
1.75A17.83
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.
3IJX_H_HCZH800_1
(GLUTAMATE RECEPTOR 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
PRO D   9
SER B 123
LEU D 115
SER D 113
1.56A22.05
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.
3IJX_H_HCZH800_1
(GLUTAMATE RECEPTOR 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
PRO C   9
SER A 123
LEU C 115
SER C 113
1.62A22.05
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.
3IJX_H_HCZH800_1
(GLUTAMATE RECEPTOR 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
PRO A   9
SER C 123
LEU A 115
SER A 113
1.53A22.05
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.
3IJX_H_HCZH800_1
(GLUTAMATE RECEPTOR 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
PRO B   9
SER D 123
LEU B 115
SER B 113
1.58A22.05
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.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
SER C 939
LEU C1063
ILE C 931
SER C 937
GLY C 932
1.22A12.11
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.
3IK6_B_HCZB262_1
(GLUTAMATE RECEPTOR 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ILE C 931
SER C 937
GLY C 932
SER C 939
LEU C1063
1.34A12.11
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.
3IJX_D_HCZD800_1
(GLUTAMATE RECEPTOR 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
ILE A 434
SER A 375
SER A 438
LEU A 368
SER A 373
1.71A12.11
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.
3IJX_H_HCZH800_1
(GLUTAMATE RECEPTOR 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
PRO A 792
SER C 704
LEU A 806
SER A 875
1.57A12.11
None
NAG  C1306 (-4.8A)
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.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
LEU A 977
ILE A 997
SER A1003
SER A 968
GLY A 999
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.
3IJX_H_HCZH800_1
(GLUTAMATE RECEPTOR 2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
PRO C 792
SER B 704
LEU C 806
SER C 875
1.55A12.62
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.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
LEU C 977
ILE C 997
SER C1003
SER C 968
GLY C 999
1.72A12.62
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.
3IJX_H_HCZH800_1
(GLUTAMATE RECEPTOR 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
PRO B 792
SER A 704
LEU B 806
SER B 875
1.53A12.62
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.
3IJX_D_HCZD800_1
(GLUTAMATE RECEPTOR 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 9
ILE A 300
PRO A 299
PRO A 248
LEU A 211
SER A 245
1.50A23.19
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.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 10
PRO A 248
LEU A 211
SER A 245
ILE A 300
PRO A 299
1.52A23.19
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.
3IJX_D_HCZD800_1
(GLUTAMATE RECEPTOR 2)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 9
ILE A 300
PRO A 299
PRO A 248
LEU A 211
SER A 245
1.54A23.03
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.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 10
PRO A 248
LEU A 211
SER A 245
ILE A 300
PRO A 299
1.55A23.03
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.
3IJX_H_HCZH800_1
(GLUTAMATE RECEPTOR 2)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
PRO A   9
SER B 123
LEU A 115
SER A 113
1.52A22.05
None
GLY  A 401 ( 4.7A)
None
None