Ligand ID: XRA


Drugbank ID:
DB00457
(Prazosin)


Indication:
For treatment of hypertension, symptomatic benign prostatic hyperplasia, and severe congestive heart failure. May also be used alone or in combination with β-blockers in the preoperative management of signs and symptoms of pheochromocytoma.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'XRA' 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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6m71 NSP12
NSP7
(SARS-CoV-2)		5 / 11
VAL C  11
PHE A 429
GLY A 841
TYR A 884
ILE A 548
1.72A16.74
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
VAL C1033
PHE C 898
ILE C 882
PHE C 797
1.27A10.71
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
VAL A 976
PHE C 592
GLY A 744
ASN C 317
ILE A 742
1.57A10.71
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
VAL C1033
PHE C 898
ILE C 882
PHE C 797
1.27A10.77
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
VAL B  62
PHE B 238
PHE B 106
GLY B  89
ASN B 196
1.57A10.77
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
VAL B1033
PHE B 898
ILE B 882
PHE B 797
1.18A10.69
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE A 802
GLY A 798
GLY A 799
ASN A 928
ILE C1130
1.68A10.69
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w4h NSP10
NSP16
(SARS-CoV-2)		5 / 9
GLY B4323
GLY B4322
MET B4297
TYR B4349
VAL A6882
1.47A21.25
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 9
GLY B4323
GLY B4322
MET B4297
TYR B4349
VAL A6882
1.49A
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 9
GLY B4323
GLY B4322
MET B4297
TYR B4349
VAL A6882
1.45A21.25
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 9
GLY D4323
GLY D4322
MET D4297
TYR D4349
VAL C6882
1.45A21.25
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL F 350
PHE F 286
PHE E 314
PHE E 315
1.62A18.70
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL D 350
PHE C 315
ILE C 320
PHE C 314
1.06A18.70
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL E 350
PHE E 286
PHE F 314
PHE F 315
1.58A18.70
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL D 350
PHE D 286
PHE C 314
PHE C 315
1.55A18.70
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL E 350
PHE F 315
ILE F 320
PHE F 314
1.03A18.70
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL B 350
PHE A 315
ILE A 320
PHE A 314
1.02A18.70
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL C 350
PHE D 315
ILE D 320
PHE D 314
0.91A18.70
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL A 350
PHE A 286
PHE B 314
PHE B 315
1.61A18.70
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL F 350
PHE E 315
ILE E 320
PHE E 314
0.99A18.70
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL A 350
PHE B 315
ILE B 320
PHE B 314
0.95A18.70
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
VAL B 350
PHE B 286
PHE A 314
PHE A 315
1.58A18.70
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 9
GLY D4323
GLY D4322
MET D4297
TYR D4349
VAL C6882
1.46A
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 9
GLY B4323
GLY B4322
MET B4297
TYR B4349
VAL A6882
1.45A
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 9
GLY B4323
GLY B4322
MET B4297
TYR B4349
VAL A6882
1.46A
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 9
GLY D4323
GLY D4322
MET D4297
TYR D4349
VAL C6882
1.45A
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
VAL A 100
PHE A 116
GLY A  78
GLY A  79
ASN A 115
1.78A21.22
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
VAL C 100
PHE C 116
GLY C  78
GLY C  79
ASN C 115
1.80A21.22
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
VAL D 100
PHE D 116
GLY D  78
GLY D  79
ASN D 115
1.78A21.22
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 9
GLY B4323
GLY B4322
MET B4297
TYR B4349
VAL A6882
1.45A
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
VAL D  96
GLY D  47
GLY D  48
ASN C  58
ILE D 131
1.71A21.07
None
EDO  D 206 (-4.5A)
EDO  D 209 ( 4.7A)
EDO  D 209 (-4.6A)
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
VAL B  41
PHE B 132
GLY B  46
GLY E 133
ASN E 101
1.64A21.07
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7btf NSP12
NSP7
(SARS-CoV-2)		5 / 11
VAL C  11
PHE A 429
GLY A 841
TYR A 884
ILE A 548
1.72A16.74
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7bv1 NSP12
NSP7
(SARS-CoV-2)		5 / 11
VAL C  11
PHE A 429
GLY A 841
TYR A 884
ILE A 548
1.62A18.45
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7bv2 NSP12
(SARS-CoV-2)		4 / 5
VAL A 233
PHE A 192
ILE A 201
PHE A 219
1.78A13.34
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		7bv2 NSP12
NSP7
(SARS-CoV-2)		5 / 11
VAL C  11
PHE A 429
GLY A 841
TYR A 884
ILE A 548
1.70A18.45
None