Ligand ID: HFZ


Drugbank ID:
DB00774
(Hydroflumethiazide)


Indication:
Used as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy. Also used in the management of hypertension either as the sole therapeutic agent or to enhance the effect of other antihypertensive drugs in the more severe forms of hypertension.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'HFZ' 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.
3ILU_H_HFZH800_1
(GLUTAMATE RECEPTOR 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
PRO D   9
SER B 123
LEU D 115
SER D 113
1.47A22.05
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.
3ILU_H_HFZH800_1
(GLUTAMATE RECEPTOR 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
PRO C   9
SER A 123
LEU C 115
SER C 113
1.53A22.05
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.
3ILU_H_HFZH800_1
(GLUTAMATE RECEPTOR 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
PRO A   9
SER C 123
LEU A 115
SER A 113
1.45A22.05
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.
3ILU_H_HFZH800_1
(GLUTAMATE RECEPTOR 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
PRO B   9
SER D 123
LEU B 115
SER B 113
1.50A22.05
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.
3ILU_E_HFZE800_1
(GLUTAMATE RECEPTOR 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ILE C 931
SER C 937
GLY C 932
SER C 939
LEU C1063
1.29A12.11
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.
3ILU_B_HFZB800_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
1.31A12.11
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.
3ILU_H_HFZH800_1
(GLUTAMATE RECEPTOR 2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
PRO C 792
SER B 704
LEU C 806
SER C 875
1.71A12.62
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.
3ILU_E_HFZE800_1
(GLUTAMATE RECEPTOR 2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ILE B 931
LYS B 933
GLY B 932
SER B 940
LEU B1063
1.61A12.62
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.
3ILU_H_HFZH800_1
(GLUTAMATE RECEPTOR 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
PRO B 792
SER A 704
LEU B 806
SER B 875
1.69A12.62
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.
3ILU_E_HFZE800_1
(GLUTAMATE RECEPTOR 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ILE B 931
LYS B 933
GLY B 932
SER B 939
LEU B1063
1.28A12.62
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.
3ILU_B_HFZB800_1
(GLUTAMATE RECEPTOR 2)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 10
LYS A 159
PRO A 158
SER A 198
ILE A 169
SER A 162
1.80A22.10
EDO  A 413 (-4.5A)
EDO  A 413 (-4.6A)
None
EDO  A 403 (-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.
3ILU_B_HFZB800_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
1.59A23.19
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.
3ILU_E_HFZE800_1
(GLUTAMATE RECEPTOR 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
ILE A 300
PRO A 299
PRO A 248
LEU A 211
SER A 245
1.59A23.19
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.
3ILU_B_HFZB800_1
(GLUTAMATE RECEPTOR 2)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 10
LYS A 159
PRO A 158
SER A 198
ILE A 169
SER A 162
1.78A22.86
None
None
None
None
EDO  A 408 ( 3.7A)
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.
3ILU_B_HFZB800_1
(GLUTAMATE RECEPTOR 2)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 10
LYS B 159
PRO B 158
SER B 198
ILE B 169
SER B 162
1.77A22.86
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.
3ILU_H_HFZH800_1
(GLUTAMATE RECEPTOR 2)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
PRO B   9
SER A 123
LEU B 115
SER B 113
1.43A22.05
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.
3ILU_H_HFZH800_1
(GLUTAMATE RECEPTOR 2)		7btf NSP12
(SARS-CoV-2)		4 / 5
LYS A  59
SER A  15
LEU A  65
SER A  68
1.80A14.89
None