Ligand ID: TUB


Drugbank ID:
DB01199
(Tubocurarine)


Indication:
Used as a diagnosis agent for myasthenia gravis, and also to facilitate the intubation after induction of anesthesia in surgical procedure

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TUB' 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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 6
GLN B1180
ILE B1183
SER F 940
SER F 939
1.47A20.80
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		4 / 6
TYR A 877
GLN A 875
SER A 433
SER A 434
1.72A13.98
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN C 804
ILE C 931
SER C 939
SER C 937
1.49A10.83
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
GLN A 409
ILE A 418
SER H  84
SER H  85
1.79A19.92
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
GLN E 409
ILE E 418
SER B  84
SER B  85
1.76A19.92
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		7btf NSP12
(SARS-CoV-2)		4 / 6
TYR A 877
GLN A 875
SER A 433
SER A 434
1.68A13.98
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
TYR A 877
GLN A 875
SER A 433
SER A 434
1.76A13.98
None