Ligand ID: 6T0


Drugbank ID:
DB00724
(Imiquimod)


Indication:
For the topical treatment of clinically typical, nonhyperkeratotic, nonhypertrophic actinic keratoses on the face or scalp in immunocompetent adults. Also indicated for the treatment of external genital and perianal warts/condyloma acuminata in individuals 12 years old and above.

Get human targets for 6T0 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '6T0' 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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ASP B1216
ILE B1281
THR B1280
PHE B1219
1.44A15.82
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
ILE H  56
PHE S 483
GLY S 490
GLY S 391
TYR S 494
1.71A23.28
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 10
PHE C 133
ILE C 132
GLY B 104
GLY C  47
GLU B 105
1.63A21.74
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
THR A  19
LEU A  21
ILE A   6
THR A   5
1.07A17.38
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.
5ZSF_B_6T0B913_0
(TOLL-LIKE RECEPTOR 7)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
VAL A 578
PHE A 580
THR A 559
LEU A 533
ILE A 549
1.68A9.83
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		2w2g NSP3
(SARSr)		4 / 7
THR A 485
LEU A 412
ILE A 454
THR A 455
1.38A13.95
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		2w2g NSP3
(SARSr)		4 / 7
THR B 485
LEU B 412
ILE B 454
THR B 455
1.40A13.95
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
THR A 224
ASP A 263
LEU A 262
ILE A 259
1.41A15.50
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		3e9s NSP3
(SARSr-CoV)		4 / 7
THR A  19
LEU A  21
ILE A   6
THR A   5
1.04A17.48
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 150
ILE A 152
PHE A 159
GLY A  15
GLU A  14
1.60A22.12
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 10
TRP A  60
GLY C   0
MET A   5
TYR A   7
GLU D 154
1.64A21.38
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 7
ILE A 277
THR A 278
TYR A 306
PHE A 259
1.28A17.35
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		3sck ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
THR A  82
LEU A  79
TYR E 475
PHE A  28
1.42A20.95
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 7
THR A  19
LEU A  21
ILE A   6
THR A   5
1.07A17.49
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.
5ZSF_B_6T0B913_0
(TOLL-LIKE RECEPTOR 7)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 9
PHE A 148
LYS A 141
ASP A 121
LEU A 120
ILE A 117
1.72A16.96
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
THR B 472
ILE B 474
THR B 475
TYR B 494
1.30A21.59
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
THR D  19
LEU D  21
ILE D   6
THR D   5
1.07A18.03
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
THR B  19
LEU B  21
ILE B   6
THR B   5
1.02A17.48
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		5x4r S PROTEIN
(MERS-CoV)		4 / 7
THR A 242
LEU A 179
ILE A 245
THR A 178
1.22A17.03
NAG  A 503 ( 4.8A)
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.
5ZSF_B_6T0B913_0
(TOLL-LIKE RECEPTOR 7)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
VAL A 893
PHE A 888
LEU A1031
ILE A 702
THR A1048
1.71A21.26
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		5x59 S PROTEIN
(MERS-CoV)		4 / 7
THR A 242
LEU A 179
ILE A 245
THR A 178
1.21A23.00
NAG  A1401 (-3.8A)
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
THR B 302
LEU B 286
ILE B 584
THR B 585
1.34A21.02
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.
5ZSF_B_6T0B913_0
(TOLL-LIKE RECEPTOR 7)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
TYR B 886
VAL C1076
THR B 869
LEU B 876
ILE C 696
1.46A21.02
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
PHE A 103
ILE A 228
PHE A 231
GLY A  86
TYR A 256
1.59A11.06
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
LEU C 532
ILE C 573
THR C 559
PHE C 527
1.38A21.50
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
LEU C 532
ILE C 573
THR C 559
PHE C 527
1.27A21.64
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
PHE C 784
GLY C 780
GLY C 781
TYR C 778
ASN C 783
1.80A11.16
None
None
None
None
NAG  C1317 (-1.9A)
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6cs2 ACE2
(Homo
sapiens)		4 / 7
THR D 519
LEU D 520
ILE D 233
THR D 229
1.44A22.01
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6cs2 ACE2
(Homo
sapiens)		5 / 10
PHE D 327
ILE D 379
GLY D 354
GLY D 352
TYR D  41
1.80A16.69
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6jyt HELICASE
(SARSr-CoV)		4 / 7
LEU A 585
ILE A 448
THR A 451
PHE A 472
1.43A21.45
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6jyt HELICASE
(SARSr-CoV)		5 / 10
PHE A 587
ILE A 565
PHE A 472
GLY A 571
TYR A 543
1.68A17.57
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m17 ACE2
(Homo
sapiens)		5 / 10
PHE D 681
ILE D 618
PHE D 643
TRP D 635
GLU D 723
1.66A14.37
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
ILE C 132
PHE C 277
GLY C 126
MET C 432
ASN C 435
1.56A17.25
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
LEU C 532
ILE C 573
THR C 559
PHE C 527
1.37A21.58
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
LEU C 185
ILE C 123
TYR C 192
PHE C 215
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
LEU L 185
ILE L 123
TYR L 192
PHE L 215
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 7
THR B 116
THR B 120
TYR B 180
PHE B 150
1.67A
None
None
None
MLI  B 301 ( 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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 7
LEU L 185
ILE L 123
TYR L 192
PHE L 215
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
LEU L 185
ILE L 123
TYR L 192
PHE L 215
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
LEU C 185
ILE C 123
TYR C 192
PHE C 215
1.71A
None