Ligand ID: TKT


Drugbank ID:
DB11699
(Tropisetron)


Indication:
For the prevention of nausea and vomiting induced by cytotoxic therapy and postoperative.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TKT' 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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ARG A   4
ARG B 131
ASN B 151
TYR B 161
1.72A20.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		1x7q HLA, A-11
(Homo
sapiens)		4 / 8
ASP A  74
ILE A  97
TRP A 147
TYR A  84
1.70A18.98
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2ajf ACE2
(Homo
sapiens)		4 / 8
ILE B 513
ARG B 204
ASN B 397
TYR B 217
1.71A22.03
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 8
ASP G 291
ILE G 293
ARG G 294
ASN F 270
1.77A12.95
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.
5OAJ_E_TKTE601_1
()		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLU C 251
CYH A 190
CYH A 193
ARG A 229
1.42A21.99
None
ZN  A 316 (-2.4A)
ZN  A 316 (-2.5A)
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASP B 214
ILE B 207
ARG B 193
ASN A 473
1.75A17.52
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 8
ASP A 282
ILE A 280
ARG A 257
TYR A 237
1.69A22.27
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		4 / 8
ASP A  83
ILE A 147
TRP A  53
ASN A 155
1.26A14.03
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP F 282
ILE F 280
ARG F 257
TYR F 237
1.64A21.52
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3d0g ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
ASP E 392
ILE E 489
ASN A 330
TYR E 484
1.74A14.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
ILE A 513
ARG A 204
ASN A 397
TYR A 217
1.77A20.16
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3sci ACE2
(Homo
sapiens)		4 / 8
ILE A 513
ARG A 204
ASN A 397
TYR A 217
1.70A22.03
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
ILE A 513
ARG A 204
ASN A 397
TYR A 217
1.70A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 144
TRP B  94
ARG B 139
ASN B 111
1.50A21.43
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
ASP B  10
ILE B  55
ARG B  53
ASN B 130
1.66A21.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OAJ_E_TKTE601_1
()		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
GLU D 204
TYR D  69
PHE D 217
TYR D 224
1.43A17.86
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
ASP D  10
ILE D  55
ARG D  53
ASN D 130
1.55A21.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ASP D 144
TRP D  94
ARG D 139
ASN D 111
1.62A20.78
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
ASP C  10
ILE C  55
ARG C  53
ASN C 130
1.65A21.22
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.
5OAJ_E_TKTE601_1
()		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
GLU D 204
TYR D  69
PHE D 217
TYR D 224
1.37A18.22
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ASP D 144
TRP D  94
ARG D 139
ASN D 111
1.63A21.86
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
ILE B 979
ARG B 977
ARG A 977
TYR C 738
1.69A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
ILE C 900
ARG C 887
ASN C1027
TYR C 794
1.70A14.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP C 385
ILE C 345
ARG C 342
ASN C 347
1.51A15.89
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ASP A 976
ILE A 979
ARG C 977
TYR B 738
1.45A17.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
ASP B  53
ILE A  23
ARG A  35
TYR A   7
1.54A14.10
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		6jyt HELICASE
(SARSr-CoV)		4 / 8
ASP B 105
ILE B 109
ASN B 381
TYR B 421
1.53A21.32
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		6m17 ACE2
(Homo
sapiens)		4 / 8
ILE D 513
ARG D 204
ASN D 397
TYR D 217
1.64A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
ILE A 132
TRP A 135
ARG A  57
TRP A 176
1.66A20.82
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.
5OAJ_E_TKTE601_1
()		6m1d ACE2
(Homo
sapiens)		4 / 8
GLU D 406
PHE D 512
TYR D 515
ARG D 273
1.68A16.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP A 976
ILE A 979
ARG B 977
TYR C 738
1.42A15.76
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		6nur NSP12
(SARSr-CoV)		4 / 8
ASP A 170
ILE A 171
ASN A 791
TYR A 458
1.65A19.38
None