Ligand ID: 2TN


Drugbank ID:
DB00335
(Atenolol)


Indication:
For the management of hypertention and long-term management of patients with angina pectoris

Get human targets for 2TN in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '2TN' 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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.60A22.35
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 5
LEU A1166
ILE A1169
SER A 967
GLY A 971
1.48A21.28
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.61A17.10
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6m03 MAIN PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 262
ILE A 259
SER A 254
GLY A 251
1.43A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.60A17.10
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.60A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU B 205
ILE B 259
SER B 254
GLY B 251
1.58A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU D 205
ILE D 259
SER D 254
GLY D 251
1.56A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU C 262
ILE C 259
SER C 254
GLY C 251
1.59A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU C 205
ILE C 259
SER C 254
GLY C 251
1.68A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.59A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6m71 NSP12
(SARS-CoV-2)		4 / 5
ILE A 562
SER A 561
GLY A 503
HIS A 381
1.79A8.81
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
LEU A 861
ILE C 312
SER C 596
GLY C 594
1.32A7.61
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
LEU C 861
ILE B 312
SER B 596
GLY B 594
1.49A7.20
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
LEU C 861
ILE B 312
SER B 596
GLY B 594
1.42A7.20
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.56A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.60A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.63A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.62A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.59A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 262
ILE A 259
SER A 254
GLY A 251
1.46A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.59A16.14
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
LEU A 708
ILE A 715
GLY A 774
HIS A 133
1.79A8.74
None