Ligand ID: ZOL


Drugbank ID:
DB00399
(Zoledronic acid)


Indication:
For the treatment of hypercalcemia of malignancy. Also for the treatment of patients with multiple myeloma and patients with documented bone metastases from solid tumors, in conjunction with standard antineoplastic therapy. In May of 2007, the drug was approved for treatment of Paget’s Disease.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'ZOL' 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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6m71 NSP12
(SARS-CoV-2)		4 / 6
LEU A 663
ASP A 684
ARG A 631
GLN A 661
1.49A15.47
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6m71 NSP12
(SARS-CoV-2)		4 / 7
LEU A 663
ASP A 684
ARG A 631
GLN A 661
1.43A15.47
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
ASP A7018
ARG A6817
LYS A6980
GLN A7016
1.79A
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
ASP F 343
ASP F 340
GLN F 349
GLN E 260
1.73A17.88
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
ASP C 343
ASP C 340
GLN C 349
GLN D 260
1.80A
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
ASP A 343
ASP A 340
GLN A 349
GLN B 260
1.77A17.88
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
ASP C 343
ASP C 340
GLN C 349
GLN D 260
1.76A17.88
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
ASP D 343
ASP D 340
GLN D 349
GLN C 260
1.74A17.88
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
ASP D 343
ASP D 340
GLN D 349
GLN C 260
1.79A
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
ASP B 343
ASP B 340
GLN B 349
GLN A 260
1.74A17.88
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
ASP F 343
ASP F 340
GLN F 349
GLN E 260
1.79A
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
ASP A7018
ARG A6817
LYS A6980
GLN A7016
1.67A
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6wkq NSP16
(SARS-CoV-2)		4 / 7
ASP C7018
ARG C6817
LYS C6980
GLN C7016
1.69A
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.
3IBA_A_ZOLA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 10
ASP A  22
ARG A   3
GLN A  30
THR A  26
TYR A  27
1.73A19.68
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
ASP L  66
ASP A 364
GLN B   1
TYR B  27
1.70A
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
ASP C  66
ASP E 364
GLN H   1
TYR H  27
1.69A
None