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-RELATED PROTEINS ONLY

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)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LEU C1181
ASP C1180
GLN B 908
GLN C 902
1.57A19.23
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)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 7
LEU C1181
ASP C1180
GLN B 908
GLN C 902
1.54A19.23
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_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		1wyy E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LEU B 927
ASP B 932
GLN B 931
GLN A1161
1.62A20.00
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_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 6
ASP C  43
ARG F  85
GLN C  36
LYS C  56
1.61A14.95
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)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 7
ASP D  43
ARG E  85
GLN G  61
GLN D  36
1.53A14.95
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)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 5
ASP D  43
ARG E  85
GLN G  61
GLN D  36
1.58A14.95
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_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP F1181
GLN F1183
LYS B 914
GLN B 917
1.66A8.42
ACE  B 913 ( 3.7A)
None
ACE  B 913 ( 2.9A)
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)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
LEU D1179
ASP F1181
GLN F1183
GLN B 917
1.61A8.42
ACE  B 913 ( 4.8A)
ACE  B 913 ( 3.7A)
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LEU D1179
ASP F1181
GLN F1183
GLN B 917
1.54A8.42
ACE  B 913 ( 4.8A)
ACE  B 913 ( 3.7A)
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.
1ZW5_A_ZOLA901_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 9
ASP E 344
ASP E 341
GLN E 346
GLN D 346
ASP D 344
1.59A14.72
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_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 7
ASP B 291
ASP B 289
LYS B 300
LYS B 356
1.51A18.58
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_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 6
ASP E 291
ASP E 289
ARG E 294
LYS E 356
1.79A18.58
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.
3N45_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 11
LEU A 200
ASP A 199
ASP A 202
TYR A 278
ASP A 296
1.79A21.77
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.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 11
LEU A 200
ASP A 199
ASP A 202
TYR A 278
ASP A 296
1.80A21.77
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.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 11
LEU A 200
ASP A 199
ASP A 202
TYR A 278
ASP A 296
1.77A22.05
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 6
LEU B 340
ASP B 341
ASP B 344
GLN B 304
1.23A18.58
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)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 7
LEU B 340
ASP B 341
ASP B 344
GLN B 304
1.27A18.58
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.
3N45_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
LEU B 200
ASP B 199
ASP B 202
TYR B 278
ASP B 296
1.61A21.45
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.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
LEU B 200
ASP B 199
ASP B 202
TYR B 278
ASP B 296
1.61A21.45
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.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
LEU B 200
ASP B 199
ASP B 202
TYR B 278
ASP B 296
1.59A21.99
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_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
ARG B 222
GLN B 273
GLN D 273
LYS C 236
1.50A17.43
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_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		3i6g HLA, A-2
(Homo
sapiens)		4 / 6
ASP D 220
ARG D 273
GLN D 253
GLN D 224
1.78A23.17
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)		3i6g HLA, A-2
(Homo
sapiens)		4 / 5
ASP D 220
ARG D 273
GLN D 253
GLN D 224
1.72A23.17
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_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		3scj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 6
ASP A  38
ARG E 479
GLN A  42
LYS A 353
1.73A20.58
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_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		3vb6 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ASP A 295
ARG A 298
GLN A 127
GLN A 110
1.73A21.87
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)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
LEU B 448
ASP B 454
ARG B 444
GLN C 112
1.47A15.03
None
None
NAG  C1310 (-2.5A)
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
LEU B 448
ASP B 454
ARG B 444
GLN C 112
1.64A15.03
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ASP A 554
ASP A 560
ARG C  48
GLN C 818
1.74A13.42
ASP  A 554 ( 0.5A)
ASP  A 560 ( 0.5A)
ARG  C  48 ( 0.6A)
GLN  C 818 ( 0.6A)
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)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		4 / 7
GLN B 915
LYS B 911
GLN B 908
TYR a  36
1.71A16.01
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_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ASP C 414
ARG A 965
GLN C 401
LYS C 411
1.41A15.40
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.
2Q58_B_ZOLB2_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
ASP A 171
ARG A 183
THR A 236
GLN A 147
ASN A 118
1.51A15.73
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.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ASP A 171
ARG A 183
THR A 236
GLN A 147
ASN A 118
1.46A15.73
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_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ASP C1100
ASP B1100
ARG C1073
GLN C1095
1.65A15.40
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_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6jyt HELICASE
(SARSr-CoV)		4 / 6
LEU A  43
ASP B  56
ARG A  15
GLN B  62
0.95A19.07
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)		6jyt HELICASE
(SARSr-CoV)		4 / 7
LEU A  43
ASP B  56
ARG A  15
GLN B  62
1.18A19.07
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_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6m1d ACE2
(Homo
sapiens)		4 / 7
ASP D 216
GLN D  89
LYS D  94
GLN D  98
1.60A16.85
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_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6nus NSP12
(SARSr-CoV)		4 / 6
LEU A 663
ASP A 684
ARG A 631
GLN A 661
1.12A15.62
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6nus NSP12
(SARSr-CoV)		4 / 7
LEU A 663
ASP A 684
ARG A 631
GLN A 661
1.24A15.62
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
LEU A 351
ASP A 355
ARG A 357
GLN E 498
1.76A20.58
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)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
LEU A 351
ASP A 355
ARG A 357
GLN E 498
1.53A20.58
None