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-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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		2a5i 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 5
LEU A 205
ILE A 259
SER A 254
GLY A 251
1.51A16.77
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)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 5
LEU B 205
ILE B 259
SER B 254
GLY B 251
1.57A16.46
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)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 5
ILE D 321
SER D 319
GLY D 336
HIS C 335
1.49A18.46
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)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 262
ILE A 259
SER A 254
GLY A 251
1.45A16.77
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)		3bgf F26G19 FAB
(Mus
musculus)		4 / 5
LEU L  89
ILE L   2
SER L  93
HIS H  35
1.43A18.78
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		3e9s NSP3
(SARSr-CoV)		4 / 5
LEU A 186
ILE A 223
SER A 222
GLY A 220
1.50A18.03
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A 262
ILE A 259
SER A 254
GLY A 251
1.48A19.55
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)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 141
SER B   0
GLY A 170
HIS A 163
1.46A16.46
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)		4mm3 UBIQUITIN
(Homo
sapiens)		4 / 5
LEU A  43
ILE A  61
SER A  65
HIS A  68
1.46A19.33
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)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 5
LEU A  20
ILE A  40
SER A  41
GLY A  31
1.41A16.29
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)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 5
LEU D  18
ILE D  14
SER D  12
HIS C  80
1.42A12.82
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 5
LEU A  18
ILE A  14
SER A  12
HIS M  80
1.46A12.82
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		5x4r S PROTEIN
(MERS-CoV)		4 / 5
ILE A 131
SER A  88
GLY A  90
HIS A 208
1.51A16.00
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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
LEU B 843
ILE A 299
SER A 582
GLY A 580
1.33A6.79
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)		5x5f S PROTEIN
(MERS-CoV)		4 / 5
ILE A 131
SER A  88
GLY A  90
HIS A 208
1.52A6.64
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)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU C 843
ILE A 299
SER A 582
GLY A 580
1.43A6.86
LEU  C 843 ( 0.6A)
ILE  A 299 ( 0.7A)
SER  A 582 ( 0.0A)
GLY  A 580 ( 0.0A)
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)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 5
LEU A 186
ILE A 223
SER A 222
GLY A 220
1.57A18.48
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)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU C 843
ILE A 299
SER A 582
GLY A 580
1.28A6.86
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
LEU A 843
ILE C 299
SER C 582
GLY C 580
1.51A7.00
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)		6iex BETA-2-MICROGLOBULIN
(Homo
sapiens)		4 / 5
LEU B  54
SER B  28
GLY B  29
HIS B  84
1.56A23.77
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)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 5
LEU C  96
ILE C 287
SER C 100
GLY C 102
1.29A11.49
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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU B 735
ILE B 975
SER B 728
GLY B 726
1.49A7.40
None