Ligand ID: 9TP


Drugbank ID:
DB00444
(Teniposide)



Indication:
Teniposide is used for the treatment of refractory acute lymphoblastic leukaemia


Get human targets for 9TP in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '9TP' 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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)
5 / 12
PRO A 146
ALA A 151
ILE A 108
TYR A  65
GLY A 102
1.59A11.75
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)
5 / 12
PRO A 146
ALA A 151
ILE A 108
TYR A  65
GLY A 102
1.54A11.75
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
1wnc E2 GLYCOPROTEIN
(SARSr-CoV)
5 / 12
LEU A1167
ALA B1171
LEU B 927
GLY C 928
LYS C 929
1.43A11.78
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
1wof 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
LEU B 141
ALA A   7
ILE A 213
LEU A 282
GLY A 215
1.52A18.57
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
LEU A 141
ALA B1007
ILE B1213
LEU B1282
GLY B1215
1.59A18.84
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
2ajf ACE2
(Homo
sapiens)
5 / 12
LEU A 558
ALA A 532
HIS A 401
LEU A 570
GLY A 399
1.50A20.67
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)
5 / 12
ALA B 146
TYR B  36
LEU B  81
LEU B  59
GLY B  33
1.51A18.64
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)
5 / 12
LEU B 141
ALA A   7
ILE A 213
LEU A 282
GLY A 215
1.51A18.70
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
2z9j 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
LYS A  90
TYR A  37
LEU A 177
GLY A 179
LYS A 180
1.59A18.70
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3bgf SPIKE PROTEIN S1
(SARSr-CoV)
5 / 12
LEU A 443
PRO A 459
ALA A 471
TYR S 442
LEU S 478
1.41A16.17
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
5 / 12
LEU A 558
ALA A 532
HIS A 401
LEU A 570
GLY A 399
1.51A20.30
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
5 / 12
LEU A 558
ALA A 532
HIS A 401
LEU A 570
GLY A 399
1.45A20.30
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3e9s NSP3
(SARSr-CoV)
5 / 12
ALA A 150
TYR A  36
LEU A  81
LEU A  59
GLY A  33
1.53A18.98
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)
5 / 12
LEU A   4
PRO A   6
ALA B 107
LEU A  97
GLY A  93
1.54A11.60
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)
5 / 12
LEU A   4
PRO A   6
ALA B 107
LEU A  97
GLY A  93
1.53A11.60
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3sci ACE2
(Homo
sapiens)
5 / 12
LEU A 558
ALA A 532
HIS A 401
LEU A 570
GLY A 399
1.31A20.54
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
3sci ACE2
(Homo
sapiens)
5 / 12
LEU A 558
ALA A 532
HIS A 401
LEU A 570
GLY A 399
1.39A20.54
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
5 / 12
LEU A 558
ALA A 532
HIS A 401
LEU A 570
GLY A 399
1.33A20.18
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
5 / 12
LEU A 558
ALA A 532
HIS A 401
LEU A 570
GLY A 399
1.42A20.18
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
3to2 BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)
5 / 12
LEU A 206
ALA A 246
TYR B  10
HIS B  13
GLY A 237
1.59A18.10
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)
5 / 12
LEU F   8
ALA D  69
TYR D 155
LEU D 133
LEU D 173
1.35A7.86
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
LEU A 843
ALA A 997
TYR A 989
LEU A 941
LEU A 944
1.59A17.22
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
ALA A 284
ILE A 272
LEU A  52
ARG A  48
GLY A 270
1.28A17.90
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 12
ALA B 284
ILE B 272
LEU B  52
ARG B  48
GLY B 270
1.32A17.09
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 12
LEU C 843
ALA C 997
TYR C 989
LEU C 941
GLY C 839
1.41A17.09
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
5x5c S PROTEIN
(MERS-CoV)
5 / 12
LEU A 938
ALA A1130
TYR A 947
LEU A 849
ARG A 847
1.57A17.89
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
LEU B 843
ALA B 997
TYR B 989
LEU B 941
GLY B 839
1.44A17.22
LEU  B 843 ( 0.6A)
ALA  B 997 ( 0.0A)
TYR  B 989 ( 1.3A)
LEU  B 941 ( 0.6A)
GLY  B 839 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)
5 / 12
LEU a  25
ALA c  28
LEU C 927
GLY B 928
LYS B 929
1.25A5.68
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
ALA A 284
ILE A 272
LEU A  52
ARG A  48
GLY A 270
1.24A17.30
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
ALA C 683
ILE C 656
LEU B 847
LEU B 846
GLY C 653
1.37A17.30
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 12
ALA B 284
ILE B 272
LEU B  52
ARG B  48
GLY B 270
1.14A16.95
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 12
ALA B1038
HIS B1030
LEU B 859
LEU B1016
GLY B1017
1.55A16.95
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 12
LEU B 843
ALA B 997
TYR B 989
LEU B 941
GLY B 839
1.46A17.51
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 12
ALA B 284
ILE B 272
LEU B  52
ARG B  48
GLY B 270
1.15A17.51
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)
5 / 12
LEU A  81
TYR A 116
ILE A 124
LEU C   8
LYS A 146
1.48A19.35
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.
4L9Q_A_9TPA601_2
(SERUM ALBUMIN)
6jyt HELICASE
(SARSr-CoV)
4 / 4
VAL B 209
GLU B 201
ASP B 483
LYS B 524
1.75A21.96
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
6jyt HELICASE
(SARSr-CoV)
5 / 12
ALA A 469
ILE A 575
LEU A 500
ARG A 595
GLY A 494
1.52A21.96
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6jyt HELICASE
(SARSr-CoV)
5 / 12
PRO B  77
ALA B  52
TYR B  48
GLY B  91
LYS B  94
1.53A21.96
None
ZN  B 702 ( 4.2A)
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
6m18 ACE2
(Homo
sapiens)
5 / 12
LEU B 722
ALA D 714
ILE B 679
TYR B 633
LEU B 628
1.41A21.35
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6m18 ACE2
(Homo
sapiens)
5 / 12
LEU B 722
ALA D 714
ILE B 679
TYR B 633
LEU B 628
1.44A21.35
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)
5 / 12
LEU C  52
ALA C 204
LEU C 482
LEU C 485
GLY C 490
1.36A20.84
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
ALA C 284
ILE C 272
LEU C  52
ARG C  48
GLY C 270
1.18A16.84
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
LEU A 843
ALA A 997
TYR A 989
LEU A 941
GLY A 839
1.39A16.84
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)
5 / 12
LEU H  86
ARG H  16
PRO H  14
LEU H  11
GLY H   8
1.54A18.33
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6nur NSP12
(SARSr-CoV)
5 / 12
LEU A 460
ALA A 252
TYR A 175
ILE A 171
LEU A 131
1.42A20.27
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6vw1 ACE2
(Homo
sapiens)
5 / 12
LEU A 558
ALA A 532
HIS A 401
LEU A 570
GLY A 399
1.44A20.67
None