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-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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		1yo4 HYPOTHETICAL PROTEIN
X4
(SARSr-CoV)		4 / 5
THR A  46
GLY A  27
PRO A  30
ASN A  28
1.75A15.46
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 5
GLY F 285
PRO F 280
ASN F 286
TYR F 361
1.58A14.03
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 5
THR C 486
GLY D  55
ASN D  57
TYR D  59
1.50A18.40
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)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 5
GLY A 285
PRO A 280
ASN A 286
TYR A 361
1.59A14.46
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
THR B 437
PRO B 393
ASN B 438
TYR B 370
1.36A20.93
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
THR B 437
PRO B 393
ASN B 438
TYR B 370
1.37A20.70
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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 5
THR D 437
PRO D 393
ASN D 438
TYR D 370
1.38A20.44
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)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
THR B 535
GLY B 311
PRO B 309
ASN B 526
1.74A14.46
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		5x59 S PROTEIN
(MERS-CoV)		4 / 5
THR C 798
GLY C1133
PRO C1131
ASN C1132
1.78A12.95
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)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
THR B 869
GLY B 873
PRO C1051
TYR C1029
1.69A16.31
THR  B 869 ( 0.8A)
GLY  B 873 ( 0.0A)
PRO  C1051 ( 1.1A)
TYR  C1029 ( 1.3A)
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)		6cs2 ACE2
SPIKE
GLYCOPROTEIN,FIBRITI
N
(Homo
sapiens;
SARSr-CoV)		4 / 5
THR B 486
GLY D 326
ASN D 330
TYR D  41
1.35A14.44
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)		6jyt HELICASE
(SARSr-CoV)		4 / 5
THR B 566
GLY B 285
PRO B 283
TYR B 457
1.52A20.48
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)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 5
THR C 260
GLY C  66
PRO C 257
ASN C 258
1.46A18.82
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6m1d ACE2
(Homo
sapiens)		4 / 5
THR B 517
GLY B 399
ASN B 397
TYR B 207
1.48A18.01
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)		6nur NSP12
(SARSr-CoV)		4 / 5
GLY A 352
PRO A 296
ASN A 314
TYR A 294
1.54A15.15
None