Ligand ID: X0T


Drugbank ID:
DB00651
(Dyphylline)


Indication:
For relief of acute bronchial asthma and for reversible bronchospasm associated with chronic bronchitis and emphysema.

Get human targets for X0T in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'X0T' 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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 374
ASP A 377
VAL A 373
VAL A 535
ASN A 356
1.32A20.81
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.
2X0Y_B_X0TB1625_1
(O-GLCNACASE NAGJ)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 358
TYR A 530
THR A 531
ASN A 657
TYR A 346
1.75A20.81
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)		6w6y NSP3
(SARS-CoV-2)		5 / 12
TYR B 161
ASP B 162
VAL B 165
ASN A  20
ASP A 162
1.48A
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.
2X0Y_B_X0TB1625_1
(O-GLCNACASE NAGJ)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 358
TYR A 530
THR A 531
ASN A 657
TYR A 346
1.69A20.81
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 374
ASP A 377
VAL A 373
THR A 531
ASN A 356
1.71A
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 374
ASP A 377
VAL A 373
VAL A 535
ASN A 356
1.30A
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 374
ASP A 377
VAL A 373
VAL A 535
ASN A 356
1.20A
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.
2X0Y_B_X0TB1625_1
(O-GLCNACASE NAGJ)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 358
TYR A 530
THR A 531
ASN A 657
TYR A 346
1.76A20.93
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.
2X0Y_B_X0TB1625_1
(O-GLCNACASE NAGJ)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 358
TYR A 530
THR A 531
ASN A 657
TYR A 346
1.73A20.93
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 374
ASP A 377
VAL A 373
THR A 531
ASN A 356
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 374
ASP A 377
VAL A 373
VAL A 535
ASN A 356
1.34A
None