Ligand ID: 1X9


Drugbank ID:
DB01034
(Cerulenin)


Indication:
For use as a biochemical tool, Cerulenin is shown to cause dramatic weight loss in animals

Get human targets for 1X9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '1X9' 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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
1.75A17.51
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		5 / 12
ILE A1169
PHE A 970
LEU A1166
GLY B 971
PHE B 970
1.56A17.06
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
1.78A20.75

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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
1.78A20.84

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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
1.74A20.97

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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ILE B 259
SER B 267
PHE B 219
LEU B 208
GLY B 215
1.80A20.97

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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ILE B 259
ALA B 210
SER B 267
PHE B 219
LEU B 208
1.76A20.97

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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
1.79A20.97

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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY C  86
ALA C 135
SER C  79
THR C 166
GLY C  70
1.36A15.76
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ALA B 110
CYH B 114
SER A 325
THR A 344
GLY B 113
1.66A18.59
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m71 NSP12
(SARS-CoV-2)		5 / 12
GLU A 254
PHE A 317
THR A 246
LEU A 251
PHE A 287
1.63A17.71
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ALA B 110
CYH B 114
SER A 325
THR A 344
GLY B 113
1.65A18.59

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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ILE A 589
SER A 692
HIS A 642
HIS A 572
GLY A 485
1.71A17.71

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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ILE A 837
ALA A 863
PHE A 419
LEU A 883
PHE A 859
1.79A17.71

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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m71 NSP12
(SARS-CoV-2)		5 / 12
GLY A 510
SER A 518
THR A 565
GLY A 503
PHE A 506
1.32A17.71
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE A 997
THR C1006
LEU A1001
GLY C 999
PHE C 970
1.40A16.69
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE A 997
THR C1006
LEU A1001
GLY C 999
PHE C 970
1.43A16.29
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE A 997
THR C1006
LEU A1001
GLY C 999
PHE C 970
1.43A16.29
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
GLY D  85
ALA D 134
SER D  78
THR D 165
GLY D  69
1.28A15.95
None
None
GOL  D 204 (-3.9A)
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE B 264
HIS B 250
LEU B 255
GLY B 239
PHE B 241
1.69A22.10
None
CIT  B 408 (-3.9A)
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ILE A6955
SER A6927
PHE A6868
HIS A6917
THR A6915
1.77A18.03
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLY C 201
ALA C 204
CYH C 181
PHE C 241
LEU C 178
1.51A21.40
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 173
HIS A 275
THR A 115
LEU A 120
PHE A 304
1.66A
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLY A 201
ALA A 204
CYH A 181
PHE A 241
LEU A 178
1.65A21.40
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE B 173
HIS B 275
THR B 115
LEU B 120
PHE B 304
1.61A
None
None
CL  B 502 ( 4.9A)
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE C 173
HIS C 275
THR C 115
LEU C 120
PHE C 304
1.64A21.40
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE B 173
HIS B 275
THR B 115
LEU B 120
PHE B 304
1.60A21.40
None
None
CL  B 502 ( 4.9A)
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLY B 201
ALA B 204
CYH B 181
PHE B 241
LEU B 178
1.59A21.40
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 173
HIS A 275
THR A 115
LEU A 120
PHE A 304
1.65A21.40
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE C 173
HIS C 275
THR C 115
LEU C 120
PHE C 304
1.64A
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
MET C 322
THR D 296
LEU D 291
GLY C 316
PHE C 315
1.72A
None
CL  D 401 ( 4.6A)
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
MET A 322
THR B 296
LEU B 291
GLY A 316
PHE A 315
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
MET D 322
THR C 296
LEU C 291
GLY D 316
PHE D 315
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY C  85
ALA C 134
SER C  78
THR C 165
GLY C  69
1.43A15.06
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY A  85
ALA A 134
SER A  78
THR A 165
GLY A  69
1.45A15.06
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY C 137
ALA C 138
HIS C 145
THR B  57
HIS B  59
1.76A15.06
None
None
ZN  C 201 (-3.4A)
ZN  C 201 ( 4.4A)
ZN  C 201 (-3.3A)
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY D  85
ALA D 134
SER D  78
THR D 165
GLY D  69
1.54A15.06
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY B  85
ALA B 134
SER B  78
THR B 165
GLY B  69
1.47A15.06
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE A 264
HIS A 250
LEU A 255
GLY A 239
PHE A 241
1.69A
None
U5P  A 401 (-4.1A)
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE B 264
HIS B 250
LEU B 255
GLY B 239
PHE B 241
1.69A21.61
None
U5P  B 401 (-4.1A)
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE A 264
HIS A 250
LEU A 255
GLY A 239
PHE A 241
1.71A21.61
None
U5P  A 401 (-4.1A)
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE B 264
HIS B 250
LEU B 255
GLY B 239
PHE B 241
1.67A
None
U5P  B 401 (-4.1A)
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
1.79A
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ILE A6955
SER A6927
PHE A6868
HIS A6917
THR A6915
1.73A
None
None
None
SO4  A7105 (-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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
PHE A 173
HIS A 275
THR A 115
LEU A 120
PHE A 304
1.58A
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
PHE A 173
HIS A 275
THR A 115
LEU A 120
PHE A 304
1.57A22.00
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLY B  11
GLU B  14
PHE B 150
GLY A 124
PHE B   8
1.50A20.97
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
1.75A17.51
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
GLY A  45
ALA A  94
SER A  38
THR A 125
GLY A  29
1.12A16.17
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
ILE A 589
SER A 692
PHE A 480
HIS A 642
GLY A 485
1.75A
None
None
None
ZN  A1002 (-3.3A)
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
GLY A 510
SER A 518
THR A 565
GLY A 503
PHE A 506
1.40A17.71
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
GLU A 254
PHE A 317
THR A 246
LEU A 251
PHE A 287
1.57A17.71
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
ALA B 110
CYH B 114
SER A 325
THR A 344
GLY B 113
1.79A18.59
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
GLY A 839
ALA A 840
PHE A 419
LEU A 838
PHE A 859
1.77A17.71
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
ILE A 837
ALA A 863
PHE A 419
LEU A 883
PHE A 859
1.52A
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
ILE A 259
ALA A 210
SER A 267
PHE A 219
LEU A 208
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ALA B 110
CYH B 114
SER A 325
THR A 344
GLY B 113
1.79A
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
GLY A 510
SER A 518
THR A 565
GLY A 503
PHE A 506
1.36A18.10
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
GLU A 254
PHE A 317
THR A 246
LEU A 251
PHE A 287
1.56A18.10
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ILE A 837
ALA A 863
PHE A 419
LEU A 883
PHE A 859
1.50A
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ILE A 536
SER A 561
PHE A 506
THR B  84
LEU A 372
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ILE A 837
ALA A 863
PHE A 419
LEU A 883
PHE A 859
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
GLU A 254
PHE A 317
THR A 246
LEU A 251
PHE A 287
1.64A18.10
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
GLY A 510
SER A 518
THR A 565
GLY A 503
PHE A 506
1.55A18.10
None