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-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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.55A22.01
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.62A22.01
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
THR A 198
VAL A 204
GLY A 109
THR A 111
1.58A22.34
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 4
THR A 308
VAL A 280
GLY A 277
THR A 274
1.59A22.02
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)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 4
THR A  39
VAL A 108
GLY A  69
THR B  21
1.53A16.62
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 4
THR O  39
VAL O 108
GLY O  69
THR D  21
1.44A16.28
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)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
THR C 539
VAL C 562
GLY C 534
THR C 533
1.42A14.29
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)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		4 / 4
THR E   9
VAL E  14
GLY D  10
THR D  11
1.41A12.35
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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 4
THR C 698
VAL C1078
GLY C1081
THR C1082
1.50A14.61
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)		5x5c S PROTEIN
(MERS-CoV)		4 / 4
THR C 574
VAL C 584
GLY C 578
THR C 579
1.14A13.54
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
THR B1009
VAL B1015
GLY B1026
THR B1048
1.47A14.87
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 4
THR C 693
VAL C1078
GLY C1081
THR C1082
1.54A14.48
None
None
None
NAG  C1308 (-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)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 4
THR B 693
VAL B1078
GLY B1081
THR B1082
1.25A14.55
None
None
None
NAG  B1315 (-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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
THR C 698
VAL C1078
GLY C1081
THR C1082
1.26A14.09
None
None
NAG  C1344 (-3.7A)
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
(Homo
sapiens)		4 / 4
THR H 191
VAL H 184
GLY H 133
THR H 131
1.78A18.02
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)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 4
THR H  77
VAL H   5
GLY H   8
THR H   9
1.66A18.02
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)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 4
THR H  78
VAL H   5
GLY H   8
THR H   9
1.72A
None
None
MLI  B 304 ( 4.0A)
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 HEAVY CHAIN
(Homo
sapiens)		4 / 4
THR B  78
VAL B   5
GLY B   8
THR B   9
1.71A
None
None
MLI  H 305 (-3.2A)
MLI  B 304 (-4.0A)
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 HEAVY CHAIN
(Homo
sapiens)		4 / 4
THR H  78
VAL H   5
GLY H   8
THR H   9
1.78A
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 IGG H CHAIN
(Homo
sapiens)		4 / 4
THR B  78
VAL B   5
GLY B   8
THR B   9
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)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 4
THR H  78
VAL H   5
GLY H   8
THR H   9
1.72A
None