Ligand ID: PXB


Drugbank ID:
DB08439
(Parecoxib)


Indication:
Used for short term perioperative pain control.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'PXB' 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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		5r82 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
PRO A  52
GLU A  55
TYR A  54
1.40A23.63
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
PRO B 412
GLU C 988
TYR B 380
1.31A14.40
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
PRO C 130
GLU C  67
TYR C  71
1.03A21.97
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
PRO A 130
GLU A  67
TYR A  71
1.08A21.97
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
PRO B 130
GLU B  67
TYR B  71
1.03A21.97
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		6wrh PEPTIDASE C16
(SARS-CoV-2)		3 / 3
PRO A 130
GLU A  67
TYR A  71
1.04A23.61
None
CL  A 506 (-3.5A)
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		3 / 3
PRO A  52
GLU A  55
TYR A  54
1.53A23.63
None