Ligand ID: TCI


Drugbank ID:
DB00470
(Dronabinol)


Indication:
For the treatment of anorexia associated with weight loss in patients with AIDS, and nausea and vomiting associated with cancer chemotherapy in patients who have failed to respond adequately to conventional antiemetic treatments

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TCI' 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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		5r81 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
VAL A 148
LEU A 115
TYR A 101
GLY A  29
GLY A 120
1.47A22.98
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 10
VAL A 114
VAL A 148
LEU A  30
SER A 147
GLY A 149
1.80A22.98
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
VAL C 114
VAL C 148
LEU C  30
SER C 147
GLY C 149
1.79A22.98
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 10
VAL A 114
VAL A 148
LEU A  30
SER A 147
GLY A 149
1.79A22.98
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6m71 NSP12
(SARS-CoV-2)		4 / 5
TYR A 619
GLN A 698
LEU A 630
PHE A 694
1.66A13.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 10
LEU A 387
SER A 397
TYR A 674
VAL B 131
TRP B 154
1.74A13.73
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
TYR A 238
ILE A 296
LEU A 251
PHE A 214
1.79A19.84
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6w4h NSP10
NSP16
(SARS-CoV-2)		4 / 5
GLN A6850
ILE A6838
LEU B4298
PHE A7048
1.70A19.67
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 5
GLN A6850
ILE A6838
LEU B4298
PHE A7048
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
VAL A 114
VAL A 148
LEU A  30
SER A 147
GLY A 149
1.80A22.98
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 5
GLN C6850
ILE C6838
LEU D4298
PHE C7048
1.71A20.57
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 5
GLN A6850
ILE A6838
LEU B4298
PHE A7048
1.74A20.57
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 5
TYR A 136
ILE A 104
LEU A 117
PHE A 147
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 5
GLN C6850
ILE C6838
LEU D4298
PHE C7048
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6wkq NSP10
NSP16
(SARS-CoV-2)		4 / 5
GLN C6850
ILE C6838
LEU D4298
PHE C7048
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6wkq NSP10
NSP16
(SARS-CoV-2)		4 / 5
GLN A6850
ILE A6838
LEU B4298
PHE A7048
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
TYR B 238
ILE B 296
LEU B 251
PHE B 214
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
TYR A 238
ILE A 296
LEU A 251
PHE A 214
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 10
VAL B 183
VAL B 187
LEU B 152
GLY B 141
VAL B 142
1.70A19.89
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
VAL A 114
VAL A 148
LEU A  30
SER A 147
GLY A 149
1.79A22.98
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
VAL D  95
LEU D 127
GLY D  79
VAL D  41
GLY D  78
1.76A21.15
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 5
GLN A6850
ILE A6838
LEU B4298
PHE A7048
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 5
TYR A 136
GLN A 121
ILE A 285
LEU A 118
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
VAL A 114
VAL A 148
LEU A  30
SER A 147
GLY A 149
1.79A22.98
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 10
VAL A 114
VAL A 148
LEU A  30
SER A 147
GLY A 149
1.78A22.98
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		7btf NSP12
(SARS-CoV-2)		4 / 5
TYR A 619
GLN A 698
LEU A 630
PHE A 694
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 10
LEU A 387
SER A 397
TYR A 674
VAL B 131
TRP B 154
1.58A13.73
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 10
LEU A 387
SER A 397
TYR A 674
VAL B 131
TRP B 154
1.62A13.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
TYR A 619
GLN A 698
LEU A 630
PHE A 694
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
TYR A 619
GLN A 698
LEU A 630
PHE A 694
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 10
LEU A 387
SER A 397
TYR A 674
VAL B 131
TRP B 154
1.72A13.72
None