Ligand ID: NPU


Drugbank ID:
DB00397
(Phenylpropanolamine)


Indication:
For the treatment of nasal congestion, control of urinary incontinence, priapism and obesity.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'NPU' 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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6m71 NSP12
(SARS-CoV-2)		4 / 5
GLY A 352
PRO A 296
ASN A 314
TYR A 294
1.51A15.89
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6m71 NSP12
(SARS-CoV-2)		4 / 5
THR A 276
GLY A 352
ASN A 297
TYR A 294
1.65A15.89
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
THR A 240
PRO A  82
ASN A  81
TYR A 265
1.53A13.48
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
THR C 604
GLY C 601
PRO C 600
TYR C 674
1.47A13.48
NAG  C1307 ( 4.2A)
None
None
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
GLY E 284
PRO E 279
ASN E 285
TYR E 360
1.65A13.13
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
GLY D 284
PRO D 279
ASN D 285
TYR D 360
1.67A13.13
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
GLY F 284
PRO F 279
ASN F 285
TYR F 360
1.63A13.13
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
GLY B 284
PRO B 279
ASN B 285
TYR B 360
1.58A13.13
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
GLY C 284
PRO C 279
ASN C 285
TYR C 360
1.62A13.13
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
GLY A 284
PRO A 279
ASN A 285
TYR A 360
1.60A13.13
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 5
THR D  71
GLY D  73
ASN D  72
TYR D  68
1.80A21.55
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		7btf NSP12
(SARS-CoV-2)		4 / 5
GLY A 352
PRO A 296
ASN A 314
TYR A 294
1.56A15.89
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		7btf NSP12
(SARS-CoV-2)		4 / 5
THR A 276
GLY A 352
ASN A 297
TYR A 294
1.67A15.89
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
THR A 276
GLY A 352
ASN A 297
TYR A 294
1.72A15.35
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
GLY A 352
PRO A 296
ASN A 314
TYR A 294
1.56A15.35
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
GLY A 352
PRO A 296
ASN A 314
TYR A 294
1.51A15.35
None