Ligand ID: BCZ


Drugbank ID:
DB06614
(Peramivir)


Indication:
Investigated for use/treatment in influenza.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'BCZ' 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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		5 / 12
GLU E 465
LEU E 461
ARG E 457
ILE E 468
ARG E 466
1.61A21.50
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.
4MWV_A_BCZA513_0
(NEURAMINIDASE)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		5 / 12
GLU E 465
LEU E 461
ARG E 457
ILE E 468
ARG E 466
1.62A18.81
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.
1L7F_A_BCZA801_0
(NEURAMINIDASE)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		5 / 12
GLU E 465
LEU E 461
ARG E 457
ILE E 468
ARG E 466
1.64A20.10
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.
1L7H_A_BCZA801_0
(NEURAMINIDASE)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		5 / 12
GLU E 465
LEU E 461
ARG E 457
ILE E 468
ARG E 466
1.65A20.10
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG A   4
GLU C 290
ARG C 131
ALA A 285
GLU C 288
1.76A20.76
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D   4
GLU B 290
ARG B 131
ALA D 285
GLU B 288
1.80A20.76
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D   4
GLU B 290
ARG B 131
ALA D 285
GLU B 288
1.80A20.76
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG A   4
GLU C 290
ARG C 131
ALA A 285
GLU C 288
1.77A20.76
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ARG A 305
GLU A 474
ASP A 304
ARG A 640
ALA A 311
1.76A17.41
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.
3K37_A_BCZA468_1
(NEURAMINIDASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ASP C 979
ARG C 983
ARG B 567
1.06A15.44
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 12
GLU C 465
LEU C 461
ARG C 457
ILE C 468
ARG C 466
1.54A19.58
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 12
GLU A  50
LEU B 122
ARG B 190
SER A  54
ILE B 106
1.59A11.40
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		6xez NSP12
(SARS-CoV-2)		3 / 3
ARG A  33
GLU A 144
ARG A  55
1.48A17.82
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
GLU C  50
LEU D 122
ARG D 190
SER C  54
ILE D 106
1.73A11.02
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLU E 465
LEU E 461
ARG E 457
ILE E 468
ARG E 466
1.38A20.26
None
None
None
None
DMS  E 904 (-3.6A)
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.
1L7H_A_BCZA801_0
(NEURAMINIDASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLU E 465
LEU E 461
ARG E 457
ILE E 468
ARG E 466
1.39A19.54
None
None
None
None
DMS  E 904 (-3.6A)
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLU A 465
LEU A 461
ARG A 457
ILE A 468
ARG A 466
1.38A19.39
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.
1L7H_A_BCZA801_0
(NEURAMINIDASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLU E 465
LEU E 461
ARG E 457
ILE E 468
ARG E 466
1.40A19.59
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLU E 465
LEU E 461
ARG E 457
ILE E 468
ARG E 466
1.39A19.39
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.
1L7H_A_BCZA801_0
(NEURAMINIDASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLU A 465
LEU A 461
ARG A 457
ILE A 468
ARG A 466
1.39A19.59
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ARG A  40
GLU A  55
ARG A 188
1.50A20.75
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		7btf NSP12
(SARS-CoV-2)		3 / 3
ARG A 889
GLU A 919
TYR A 867
1.39A17.41
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		7btf NSP12
(SARS-CoV-2)		3 / 3
ARG A  33
GLU A 144
ARG A  55
1.45A17.63
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
ARG A 305
GLU A 474
ASP A 304
ARG A 640
ALA A 311
1.64A17.41
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ARG A 305
GLU A 474
ASP A 304
ARG A 640
ALA A 311
1.67A17.06
None