Ligand ID: 65B


Drugbank ID:
DB06414
(Etravirine)


Indication:
Indicated as an adjunct therapy in the treatment of adult HIV-1 infections resistant to therapy with other NNRTIs and antiretroviral agents.

Get human targets for 65B in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '65B' 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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 10
LEU A  32
VAL A  18
VAL A  91
TYR A  37
PRO A 122
1.80A18.31
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 10
LEU A  34
TYR A 150
PRO A 140
LEU A 137
TYR A  65
1.79A15.01
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		1uj1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.62A18.32
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
LEU A  32
VAL A  18
VAL A  91
TYR A  37
PRO A 122
1.71A18.46
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
LEU B1032
VAL B1018
VAL B1091
TYR B1037
PRO B1122
1.69A18.46
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
LEU B  86
VAL B 148
GLY B 146
LEU B 177
TYR B  37
1.65A18.26
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
LEU B 291
ASN B 297
VAL B 277
GLY B 261
TYR B 295
1.60A15.69
18.12
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 10
LEU D 192
LYS D 201
VAL D 346
TYR D 350
LEU D 351
1.79A15.54
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		2ajf ACE2
(Homo
sapiens)		5 / 12
VAL B 447
TYR B 279
GLY B 448
PHE B 588
LEU B 591
1.47A21.95
19.74
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		2ajf ACE2
(Homo
sapiens)		5 / 12
LEU A 584
TYR A 587
PHE A 592
LEU A 236
PRO A 235
1.65A22.10
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  86
VAL A  20
GLY A  29
PHE A 159
LEU A 177
1.59A18.43
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
LEU B  32
VAL B  18
VAL B  91
TYR B  37
PRO B 122
1.75A18.58
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  86
VAL A  20
GLY A  29
PHE A 159
LEU A 177
1.57A18.43
21.15
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 198
TYR H 145
PHE H 122
LEU H 141
PRO H 123
1.60A16.90
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU S 355
VAL S 328
TYR S 352
GLY S 326
LEU S 421
1.62A16.76
None
None
None
NAG  S1330 (-3.0A)
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
LEU A 110
ASN A 116
VAL A  96
GLY A  80
TYR A 114
1.56A15.18
17.82
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU C 200
VAL C 206
TYR C 208
LEU C 186
GLU C 204
1.42A19.25
20.43
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU C 355
LYS E 373
VAL E 369
PHE C 364
TYR C 352
1.67A16.88
17.50
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		2kaf NSP3
(SARSr-CoV)		5 / 11
LEU A  62
VAL A  56
VAL A  48
TYR A  41
LEU A  52
1.77A9.27
10.47
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 12
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.64A18.26
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.65A19.51
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
LEU A  32
VAL A  18
VAL A  91
TYR A  37
PRO A 122
1.78A18.65
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.62A18.50
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
LEU F   2
LYS C   0
VAL C  24
VAL C   5
PRO F  50
1.69A20.95
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		2w2g NSP3
(SARSr-CoV)		5 / 11
LEU A 475
LYS A 477
VAL A 448
VAL A 445
LEU A 412
1.70A20.25
20.00
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		2wct NSP3
(SARSr-CoV)		5 / 12
LEU B 475
VAL B 448
GLY B 446
LEU B 412
PRO B 479
1.29A20.25
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  86
VAL B 148
GLY B 146
LEU B 177
TYR B  37
1.65A19.75
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		6 / 10
LEU A 116
LYS A 112
VAL A 185
TYR A 199
TYR A 183
LEU A 120
1.67A21.71
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL A 447
TYR A 279
GLY A 448
PHE A 588
LEU A 591
1.48A21.65
21.01
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL A 447
TYR A 279
GLY A 448
PHE A 588
LEU A 591
1.44A21.80
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  86
VAL B 148
GLY B 146
LEU B 177
TYR B  37
1.64A18.32
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		3e9s NSP3
(SARSr-CoV)		5 / 12
LEU A 200
VAL A 206
TYR A 208
LEU A 186
GLU A 204
1.33A19.54
21.21
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		3e9s NSP3
(SARSr-CoV)		5 / 11
LEU A 200
VAL A 206
TYR A 208
LEU A 186
GLU A 204
1.35A19.54
21.21
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
LEU A  32
VAL A  18
VAL A  91
TYR A  37
PRO A 122
1.76A18.65
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  86
VAL B 148
GLY B 146
LEU B 177
TYR B  37
1.65A18.17
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
LEU A  32
VAL A  18
VAL A  91
TYR A  37
PRO A 122
1.79A18.40
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  86
VAL B 148
GLY B 146
LEU B 177
TYR B  37
1.66A18.26
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
LEU A  32
VAL A  18
VAL A  91
TYR A  37
PRO A 122
1.67A18.90
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 11
VAL D  76
VAL D  95
PHE F   7
TRP D 147
TYR D  84
1.68A19.38
19.69
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		3i6k HLA, A-2
MEMBRANE
GLYCOPROTEIN PEPTIDE
(Homo
sapiens;
SARS-COV
TJF)		5 / 12
LEU C   1
VAL A  34
GLY A  26
TYR A  99
GLU A  63
1.56A1.51
2.46
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU D  86
VAL D  20
GLY D  29
PHE D 159
LEU D 177
1.64A18.32
20.97
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  86
VAL B 148
GLY B 146
LEU B 177
TYR B  37
1.65A18.26
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  86
VAL A  20
GLY A  29
PHE A 159
LEU A 177
1.68A18.26
20.70
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		3sci ACE2
(Homo
sapiens)		5 / 12
VAL B 447
TYR B 279
GLY B 448
PHE B 588
LEU B 591
1.43A21.94
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		3sci ACE2
(Homo
sapiens)		5 / 11
LYS B 470
VAL B 463
VAL B 185
TYR B 183
GLU B 182
1.71A21.90
20.39
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		3sci ACE2
(Homo
sapiens)		5 / 10
LEU B 116
LYS B 112
VAL B 185
TYR B 183
LEU B 120
1.57A21.85
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU F 355
VAL F 328
TYR F 352
GLY F 326
LEU F 421
1.64A14.11
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		6 / 10
LEU B 116
LYS B 112
VAL B 185
TYR B 199
TYR B 183
LEU B 120
1.63A21.55
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL B 447
TYR B 279
GLY B 448
PHE B 588
LEU B 591
1.50A21.48
21.01
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL B 447
TYR B 279
GLY B 448
PHE B 588
LEU B 591
1.45A21.63
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
LYS B 470
VAL B 463
VAL B 185
TYR B 183
GLU B 182
1.80A21.60
21.01
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
LEU B  32
VAL B  18
VAL B  91
TYR B  37
PRO B 122
1.78A18.45
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
LEU A  32
VAL A  18
VAL A  91
TYR A  37
PRO A 122
1.78A19.93
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU B 321
VAL B 328
VAL B 381
GLY B 380
TRP B 348
1.62A21.92
21.73
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU B 321
VAL B 328
VAL B 381
GLY B 380
TRP B 348
1.58A21.92
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU D 321
VAL D 328
VAL D 381
GLY D 380
TRP D 348
1.51A22.05
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU D 321
VAL D 328
VAL D 381
GLY D 380
TRP D 348
1.56A22.05
21.69
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A 200
VAL A 206
TYR A 208
LEU A 186
GLU A 204
1.45A19.29
21.24
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
LEU C 321
VAL C 328
VAL C 381
GLY C 380
TRP C 348
1.54A21.94
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
LEU D 321
VAL D 328
VAL D 381
GLY D 380
TRP D 348
1.51A21.94
21.29
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU D  65
TYR D  73
TYR D  84
LEU D  59
PRO D  34
1.62A19.54
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
LEU A 804
VAL A1042
GLY A1041
PHE A1044
PRO A1035
1.56A18.98
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C  58
TYR C 197
TYR C  42
GLY C  39
LEU C 264
1.59A18.52
15.90
LEU  C  58 ( 0.6A)
TYR  C 197 ( 1.3A)
TYR  C  42 ( 1.3A)
GLY  C  39 ( 0.0A)
LEU  C 264 ( 0.6A)
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 804
VAL C1042
GLY C1041
PHE C1044
PRO C1035
1.58A18.52
LEU  C 804 ( 0.5A)
VAL  C1042 ( 0.6A)
GLY  C1041 ( 0.0A)
PHE  C1044 ( 1.3A)
PRO  C1035 ( 1.1A)
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
LEU A  58
VAL A  40
VAL A 186
TYR A  42
LEU A 264
1.69A18.52
LEU  A  58 ( 0.6A)
VAL  A  40 ( 0.6A)
VAL  A 186 ( 0.6A)
TYR  A  42 ( 1.3A)
LEU  A 264 ( 0.6A)
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 804
VAL C1042
GLY C1041
PHE C1044
PRO C1035
1.50A18.61
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
LEU C 421
VAL C 354
TYR C 356
TYR C 352
LEU C 499
1.64A18.61
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		6ack ACE2
(Homo
sapiens)		5 / 12
LEU D 222
ASN D 397
TYR D 516
GLY D 399
TYR D 217
1.46A21.79
19.74
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASN B 951
GLY B 953
PHE A 741
LEU A 735
GLU A 972
1.47A18.61
15.98
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
LEU B  52
VAL A 555
TYR B 266
TYR B  53
LEU B  54
1.71A19.10
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU A 209
VAL A 254
GLY A 255
PHE A  69
GLU A 184
1.61A19.22
16.64
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU C 804
VAL C1042
GLY C1041
PHE C1044
PRO C1035
1.37A19.22
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		6jyt HELICASE
(SARSr-CoV)		5 / 10
LEU A 165
VAL A 210
TYR A 198
TYR A 211
LEU A 163
1.77A20.68
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
VAL A 324
TYR A 322
GLY A 326
LEU A 398
GLU A 391
1.66A20.50
19.10
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		6m17 ACE2
(Homo
sapiens)		5 / 10
LEU B 116
LYS B 112
VAL B 185
TYR B 183
LEU B 120
1.43A20.84
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6m18 ACE2
(Homo
sapiens)		5 / 12
VAL D 447
TYR D 279
GLY D 448
PHE D 588
LEU D 591
1.48A20.89
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		6m18 ACE2
(Homo
sapiens)		5 / 11
LYS B 470
VAL B 463
VAL B 185
TYR B 183
GLU B 182
1.75A20.65
18.93
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		6m1d ACE2
(Homo
sapiens)		5 / 12
VAL D 209
VAL D 212
TYR D 217
GLY D 211
GLU D 571
1.30A20.77
18.97
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 804
VAL C1042
GLY C1041
PHE C1044
PRO C1035
1.53A18.37
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 212
TYR H 159
PHE H 136
LEU H 155
PRO H 137
1.63A18.52
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		6nur NSP12
NSP7
(SARSr-CoV)		5 / 10
LEU C  28
LYS C  27
VAL C  33
PRO A 412
LEU C  17
1.62A10.20
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		6nus NSP12
(SARSr-CoV)		5 / 12
LEU A 655
VAL A 354
TYR A 346
LEU A 351
GLU A 658
1.62A20.25
18.35
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		6nus NSP12
(SARSr-CoV)		5 / 11
LEU A 655
VAL A 354
TYR A 346
LEU A 351
GLU A 658
1.70A20.40
18.35
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
VAL F 483
TYR F 473
TYR F 489
GLY F 482
GLU F 471
1.63A17.74
20.42
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		6vw1 ACE2
(Homo
sapiens)		6 / 10
LEU B 116
LYS B 112
VAL B 185
TYR B 199
TYR B 183
LEU B 120
1.53A22.02
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 10
LEU H  45
VAL L  85
TYR L  36
PRO L  40
TRP H 103
1.40A15.16
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
VAL H 198
TYR H 145
PHE H 122
LEU H 141
PRO H 123
1.61A14.98
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
VAL H 121
VAL H 152
TYR H 145
LEU H 141
PRO H 123
1.71A14.98
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 202
TYR H 149
PHE H 126
LEU H 145
PRO H 127
1.65A
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU C  52
VAL B 108
GLY B  98
TYR C  42
GLU C  61
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 125
VAL H 156
TYR H 149
LEU H 145
PRO H 127
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL B 202
TYR B 149
PHE B 126
LEU B 145
PRO B 127
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL B 125
VAL B 156
TYR B 149
LEU B 145
PRO B 127
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 125
VAL H 156
TYR H 149
LEU H 145
PRO H 127
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 202
TYR H 149
PHE H 126
LEU H 145
PRO H 127
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL B 202
TYR B 149
PHE B 126
LEU B 145
PRO B 127
1.65A
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL B 125
VAL B 156
TYR B 149
LEU B 145
PRO B 127
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL H 125
VAL H 156
TYR H 149
LEU H 145
PRO H 127
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
LEU C  52
VAL B 108
GLY B  98
TYR C  42
GLU C  61
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
LEU L  52
VAL H 108
GLY H  98
TYR L  42
GLU L  61
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL H 202
TYR H 149
PHE H 126
LEU H 145
PRO H 127
1.64A
None