Ligand ID: BL1


Drugbank ID:
DB00808
(Indapamide)


Indication:
For the treatment of hypertension, alone or in combination with other antihypertensive drugs, as well as for the treatment of salt and fluid retention associated with congestive heart failure or edema from pregnancy (appropriate only in the management of edema of pathologic origin during pregnancy when clearly needed). Also used for the management of edema as a result of various causes.

Get human targets for BL1 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'BL1' 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.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASN A 312
VAL A 128
LEU A 247
THR A 248
THR A 246
1.61A14.33
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.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN B 317
GLN B 314
LEU C 861
THR C 734
THR C 859
1.43A11.10
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.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASN C 317
GLN C 314
LEU A 861
THR A 734
THR A 859
1.58A11.66
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.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
ASN A  75
GLN A 347
PHE A 330
LEU A 298
THR A 196
1.55A23.36
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.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASN A 312
VAL A 128
LEU A 247
THR A 248
THR A 246
1.57A14.33
None