Ligand ID: KTR


Drugbank ID:
DB00465
(Ketorolac)


Indication:
For the short-term (~5 days) management of moderately severe acute pain that requires analgesia at the opioid level, usually in a postoperative setting.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'KTR' 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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6lzg SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
GLY B 404
VAL B 503
PRO B 507
TYR B 495
1.55A20.36
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		5 / 12
GLU E 406
ILE E 402
TYR E 495
LEU E 452
LEU E 492
1.54A22.64
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
THR C 304
GLY A 124
VAL A 125
TYR A 118
1.75A23.96
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
THR C 166
GLY C  72
VAL C 134
PRO C  74
1.46A18.87
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6m71 NSP12
(SARS-CoV-2)		4 / 5
GLY A 352
VAL A 299
PRO A 296
TYR A 294
1.79A15.89
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6m71 NSP12
(SARS-CoV-2)		4 / 5
GLY A 230
VAL A 202
PRO A 232
TYR A 289
1.09A15.89
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
GLY B 404
VAL B 503
PRO B 507
TYR B 495
1.58A13.28
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 5
THR C 165
GLY C  71
VAL C 133
PRO C  73
1.46A16.87
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 5
GLY C 404
VAL C 503
PRO C 507
TYR C 495
1.68A19.45
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 12
GLU C 406
ILE C 402
TYR C 495
LEU C 452
LEU C 492
1.69A18.54
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ILE C 123
THR C 168
LEU C 172
PHE C 127
LEU C 132
1.76A18.30
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		6wcf NSP3
(SARS-CoV-2)		5 / 12
TYR A   9
ILE A  23
LEU A 126
LEU A 164
TYR A 161
1.78A24.39
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
THR C 165
GLY C  71
VAL C 133
PRO C  73
1.51A16.87
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
THR A 165
GLY A  71
VAL A 133
PRO A  73
1.44A16.87
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
THR B 165
GLY B  71
VAL B 133
PRO B  73
1.49A16.87
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
THR D 165
GLY D  71
VAL D 133
PRO D  67
1.80A16.87
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
THR D 165
GLY D  71
VAL D 133
PRO D  73
1.53A16.87
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
TYR A   9
ILE A  23
LEU A 126
LEU A 164
TYR A 161
1.73A24.24
None
APR  A 201 (-4.0A)
None
None
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 5
THR A 125
GLY A  31
VAL A  93
PRO A  33
1.57A18.21
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 5
THR A 125
GLY A  31
VAL A  93
PRO A  27
1.59A18.21
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
GLY E 404
VAL E 503
PRO E 507
TYR E 495
1.71A20.65
DMS  E 902 (-3.4A)
None
None
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
GLY A 404
VAL A 503
PRO A 507
TYR A 495
1.54A20.65
DMS  A 903 (-3.5A)
None
None
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
GLY E 404
VAL E 503
PRO E 507
TYR E 495
1.71A20.06
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
GLY A 404
VAL A 503
PRO A 507
TYR A 495
1.71A20.06
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		7btf NSP12
(SARS-CoV-2)		4 / 5
GLY A 352
VAL A 299
PRO A 296
TYR A 294
1.71A15.89
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		7btf NSP12
(SARS-CoV-2)		4 / 5
GLY A 230
VAL A 202
PRO A 232
TYR A 289
1.07A15.89
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
GLY A 230
VAL A 202
PRO A 232
TYR A 289
1.11A15.35
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
GLY A 230
VAL A 202
PRO A 232
TYR A 289
1.15A15.35
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
GLY A 352
VAL A 353
PRO A 296
TYR A 294
1.79A15.35
None