Ligand ID: 5CH


Drugbank ID:
DB01628
(Etoricoxib)


Indication:
For the treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, chronic low back pain, acute pain and gout.

Get human targets for 5CH in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '5CH' 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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.77A17.61
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.70A23.82
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.73A23.76
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 4
THR B 198
VAL B 204
GLY B 109
THR B 111
1.70A23.63
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 4
THR C 198
VAL C 204
GLY C 109
THR C 111
1.74A23.63
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 4
THR D 198
VAL D 204
GLY D 109
THR D 111
1.79A23.63
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.69A23.63
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6m71 NSP12
(SARS-CoV-2)		4 / 4
THR A 276
VAL A 299
GLY A 345
THR A 344
1.65A15.47
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6m71 NSP12
(SARS-CoV-2)		4 / 4
THR A 393
VAL A 398
GLY A 671
THR A 402
1.75A15.47
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6m71 NSP12
(SARS-CoV-2)		4 / 4
THR A 462
VAL A 792
GLY A 679
THR A 680
1.76A15.47
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
THR A 240
VAL A  90
GLY A 107
THR A 108
1.47A14.40
None
None
None
NAG  A1317 (-3.7A)
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
THR B 240
VAL B  90
GLY B 107
THR B 108
1.53A14.00
None
None
None
NAG  B1303 ( 4.1A)
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
THR C 284
VAL C  47
GLY B 566
THR B 573
1.30A14.00
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 4
THR H  31
VAL C 433
GLY C 381
THR C 430
1.70A18.02
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6w61 NSP10
(SARS-CoV-2)		4 / 4
THR B4364
VAL B4369
GLY B4305
THR B4304
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6w61 NSP10
(SARS-CoV-2)		4 / 4
THR B4354
VAL B4350
GLY B4305
THR B4304
1.68A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6w75 NSP10
(SARS-CoV-2)		4 / 4
THR D4354
VAL D4350
GLY D4305
THR D4304
1.62A17.63
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6w75 NSP10
(SARS-CoV-2)		4 / 4
THR D4364
VAL D4369
GLY D4305
THR D4304
1.74A17.63
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6w75 NSP10
(SARS-CoV-2)		4 / 4
THR B4364
VAL B4369
GLY B4305
THR B4304
1.75A17.63
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6w75 NSP10
(SARS-CoV-2)		4 / 4
THR B4354
VAL B4350
GLY B4305
THR B4304
1.63A17.63
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wjt NSP10
(SARS-CoV-2)		4 / 4
THR B4364
VAL B4369
GLY B4305
THR B4304
1.75A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wjt NSP10
(SARS-CoV-2)		4 / 4
THR D4354
VAL D4350
GLY D4305
THR D4304
1.61A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wjt NSP10
(SARS-CoV-2)		4 / 4
THR B4354
VAL B4350
GLY B4305
THR B4304
1.61A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wjt NSP10
(SARS-CoV-2)		4 / 4
THR D4364
VAL D4369
GLY D4305
THR D4304
1.74A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wkq NSP10
(SARS-CoV-2)		4 / 4
THR B4354
VAL B4350
GLY B4305
THR B4304
1.62A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wkq NSP10
(SARS-CoV-2)		4 / 4
THR D4354
VAL D4350
GLY D4305
THR D4304
1.61A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wkq NSP10
(SARS-CoV-2)		4 / 4
THR B4364
VAL B4369
GLY B4305
THR B4304
1.76A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wkq NSP10
(SARS-CoV-2)		4 / 4
THR D4364
VAL D4369
GLY D4305
THR D4304
1.74A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.75A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wq3 NSP10
(SARS-CoV-2)		4 / 4
THR B4354
VAL B4350
GLY B4305
THR B4304
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wq3 NSP10
(SARS-CoV-2)		4 / 4
THR B4364
VAL B4369
GLY B4305
THR B4304
1.73A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.75A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
THR A 376
VAL A 511
GLY A 431
THR A 430
1.75A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
THR E 376
VAL E 511
GLY E 431
THR E 430
1.75A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
THR E 376
VAL E 511
GLY E 431
THR E 430
1.74A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
THR E 376
VAL E 511
GLY E 431
THR E 430
1.74A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
THR A 376
VAL A 511
GLY A 431
THR A 430
1.75A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.77A
None
None
PEG  A 405 (-3.3A)
CL  A 406 ( 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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.72A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7btf NSP8
(SARS-CoV-2)		4 / 4
THR B 137
VAL B 130
GLY B 144
THR B 145
1.73A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7btf NSP12
(SARS-CoV-2)		4 / 4
THR A 276
VAL A 299
GLY A 345
THR A 344
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7btf NSP12
(SARS-CoV-2)		4 / 4
THR A  20
VAL A  11
GLY A  25
THR A  26
1.55A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.71A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 4
THR A 276
VAL A 299
GLY A 345
THR A 344
1.63A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 4
THR A 462
VAL A 792
GLY A 679
THR A 680
1.76A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 4
THR A 393
VAL A 398
GLY A 671
THR A 402
1.77A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 4
THR A 276
VAL A 299
GLY A 345
THR A 344
1.63A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 4
THR A 393
VAL A 398
GLY A 671
THR A 402
1.72A
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		7bv2 NSP8
(SARS-CoV-2)		4 / 4
THR B 137
VAL B 130
GLY B 144
THR B 145
1.71A
None