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-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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		3 / 3
PRO A  52
GLU A  55
TYR A  54
1.48A22.04
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)		1yo4 HYPOTHETICAL PROTEIN
X4
(SARSr-CoV)		3 / 3
PRO A  19
GLU A   1
TYR A  60
1.58A14.88
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
PRO A 131
GLU A  68
TYR A  72
0.99A21.20
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)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
PRO A 548
GLU A 571
TYR A 583
0.96A18.07
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		3 / 3
PRO A  52
GLU A  55
TYR A  54
1.39A24.13
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)		2rnk REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
PRO A 548
GLU A 571
TYR A 583
1.06A18.24
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)		2wct NSP3
(SARSr-CoV)		3 / 3
PRO C 548
GLU C 571
TYR C 583
0.76A20.40
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)		3bgf F26G19 FAB
(Mus
musculus)		3 / 3
PRO L 120
GLU L 185
TYR L 186
1.45A19.83
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)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
PRO A 490
GLU A 160
TYR A 158
1.24A22.11
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)		3e9s NSP3
(SARSr-CoV)		3 / 3
PRO A 131
GLU A  68
TYR A  72
1.00A21.88
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO B  52
GLU B  55
TYR B  54
1.36A22.01
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		3scj ACE2
(Homo
sapiens)		3 / 3
PRO B 490
GLU B 160
TYR B 158
1.39A20.68
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
PRO A 490
GLU A 160
TYR A 158
1.25A21.37
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)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO A  52
GLU A  55
TYR A  54
1.48A24.19
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)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PRO B  52
GLU B  55
TYR B  54
1.44A22.34
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)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
PRO A 131
GLU A  68
TYR A  72
1.04A22.14
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)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		3 / 3
PRO A 131
GLU A  68
TYR A  72
1.00A21.20
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)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
PRO D 131
GLU D  68
TYR D  72
0.98A22.22
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)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
PRO D 131
GLU D  68
TYR D  72
1.01A21.47
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		5x4r S PROTEIN
(MERS-CoV)		3 / 3
PRO A 196
GLU A  32
TYR A 201
1.53A22.14
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)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
PRO B 399
GLU C 970
TYR B 367
1.30A14.61
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)		5x5f S PROTEIN
(MERS-CoV)		3 / 3
PRO C  59
GLU C 352
TYR C  71
1.12A13.54
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)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
PRO A 131
GLU A  68
TYR A  72
1.03A21.88
None
None
NA  A 406 (-4.9A)
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)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PRO C1061
GLU B 900
TYR B 899
1.58A14.87
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
PRO B1061
GLU C 900
TYR C 899
1.58A14.48
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)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
PRO B1061
GLU C 900
TYR C 899
1.41A14.55
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)		6m1d ACE2
(Homo
sapiens)		3 / 3
PRO D 253
GLU D 160
TYR D 158
1.18A18.24
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)		6vw1 ACE2
(Homo
sapiens)		3 / 3
PRO A 490
GLU A 160
TYR A 158
1.31A21.58
None