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'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1wnc E2 GLYCOPROTEIN
(SARSr)		4 / 5
VAL A1170
ILE C 913
PHE C 909
PHE A 909
1.34A19.91
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])		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 11
GLY B 260
GLY B 261
ASN B 297
GLU B 286
ILE B 223
1.67A22.41
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])		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 9
GLY B 260
GLY B 261
ASN B 297
GLU B 286
ILE B 223
1.57A22.41
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])		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 5
VAL D 351
PHE C 316
ILE C 321
PHE C 315
0.88A19.74
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_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 9
GLY A  79
GLY A  80
ASN A 116
GLU A 105
ILE A  42
1.62A22.78
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 11
VAL C  25
PHE C 133
GLY C  48
GLY C  47
ASN B 100
1.63A22.78
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
VAL C 236
TRP B 107
GLY B 267
TYR B 265
ILE C 223
1.65A22.32
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])		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
PHE A 361
PHE A 360
GLY A 326
ASN A 330
ILE A 345
1.66A20.75
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])		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 5
VAL B 351
PHE A 316
ILE A 321
PHE A 315
0.92A17.94
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])		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
VAL B 294
PHE B 302
ILE B 252
PHE B 232
1.41A22.44
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 5
VAL B 125
PHE A 150
ILE A 152
PHE A 159
1.54A22.29
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2xyr NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 9
GLY B  70
GLY B  69
MET B  44
TYR B  96
VAL A  84
1.48A20.52
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])		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL F 328
PHE F 361
PHE F 364
GLY F 418
TYR F 367
1.72A21.81
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
VAL B 125
PHE A 150
ILE A 152
PHE A 159
1.50A22.62
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])		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		6 / 9
TRP A  60
GLY C   0
MET A   5
TYR A   7
VAL A  28
GLU D 154
1.58A21.38
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])		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 11
TRP A  60
GLY C   0
MET A   5
TYR A   7
GLU D 154
1.60A21.38
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])		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		5 / 9
GLY B  70
GLY B  69
MET B  44
TYR B  96
VAL A  84
1.49A21.37
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])		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
VAL B 118
PHE B 111
ILE B 166
PHE B 183
1.29A15.54
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])		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
VAL B 118
PHE B 111
ILE B 166
PHE B 183
1.28A15.70
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])		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 9
GLY A  70
GLY A  69
MET A  44
TYR A  96
VAL B  40
1.75A21.46
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 5
VAL A 118
PHE A 111
ILE A 166
PHE A 183
1.36A15.53
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])		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 9
GLY N  70
GLY N  69
MET N  44
TYR N  96
VAL B  40
1.79A21.05
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])		5x4r S PROTEIN
(MERS-CoV)		5 / 11
VAL A 118
PHE A 279
GLY A 276
GLY A 275
ILE A 250
1.69A20.00
None
None
None
None
NAG  A 502 ( 4.3A)
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
PHE A  83
ILE A  87
PHE A 231
PHE A 103
1.21A18.62
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])		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL A 172
PHE A  76
GLY A 100
ASN A  78
ILE A 117
1.71A18.62
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])		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
GLY B 104
MET B 107
VAL B  80
ASN B 230
ILE B 115
1.77A11.11
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])		5x59 S PROTEIN
(MERS-CoV)		5 / 11
VAL B 983
PHE B1001
GLY B1140
GLY B 789
MET B1008
1.59A11.06
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])		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
VAL C  98
PHE C 103
PHE C  83
GLY C 255
TYR C 256
1.64A11.11
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])		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
PHE B  83
ILE B  87
PHE B 231
PHE B 103
1.38A11.11
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])		5x5f S PROTEIN
(MERS-CoV)		4 / 5
VAL C 989
PHE C 786
ILE C 997
PHE C 788
1.47A11.06
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])		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
PHE A  83
ILE A  87
PHE A 231
PHE A 103
1.26A11.47
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])		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL A 196
GLY A 104
MET A 107
ASN A 230
ILE A 115
1.46A11.47
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])		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
VAL A 172
PHE A  76
GLY A 100
ASN A  78
ILE A 117
1.57A11.05
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])		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
PHE B  83
ILE B  87
PHE B 231
PHE B 103
1.33A11.05
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])		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
VAL C 420
PHE C 501
PHE C 416
PHE C 379
1.24A11.33
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
VAL B 172
PHE B  76
GLY B 100
ASN B  78
ILE B 117
1.44A11.33
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.
3OWX_A_XRAA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 9
TRP A  60
GLY C   1
MET A   5
TYR A   7
VAL A  28
1.61A21.77
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])		6jyt HELICASE
(SARSr-CoV)		5 / 11
PHE A  90
GLY A  67
GLY A  66
TYR A  71
ILE A  79
1.47A17.41
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])		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
GLY A  67
GLY A  68
TYR A 322
VAL A 315
GLU A 261
1.72A17.81
None
None
None
None
NAG  A 703 (-2.6A)
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])		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
PHE A  58
GLY A  67
GLY A  68
TYR A 322
GLU A 261
1.58A17.81
None
None
None
None
NAG  A 703 (-2.6A)
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])		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 5
VAL A 587
PHE A 550
ILE A 492
PHE A 546
1.49A17.81
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.
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_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL A 328
PHE A 361
PHE A 364
GLY A 418
TYR A 367
1.57A11.32
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_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6vw1 ACE2
(Homo
sapiens)		5 / 9
MET A 455
TYR A 454
VAL A 485
GLU A 467
ILE A 468
1.77A16.58
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_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 11
VAL H  37
PHE H  29
GLY H  95
GLY H  97
ILE H  98
1.73A23.48
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.
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])		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 11
VAL H  37
PHE H  29
GLY H  99
GLY H 101
ILE H 102
1.66A22.99
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])		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 11
VAL B  37
PHE B  29
GLY B  99
GLY B 101
ILE B 102
1.67A22.99
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])		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 11
VAL H  37
PHE H  29
GLY H  99
GLY H 101
ILE H 102
1.68A22.99
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])		6yor IGG H CHAIN
(Homo
sapiens)		5 / 11
VAL B  37
PHE B  29
GLY B  99
GLY B 101
ILE B 102
1.65A22.99
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])		6yor IGG H CHAIN
(Homo
sapiens)		5 / 11
VAL H  37
PHE H  29
GLY H  99
GLY H 101
ILE H 102
1.65A22.99
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