Ligand ID: 5FW


Drugbank ID:
DB01064
(Isoprenaline)


Indication:
For the treatment of mild or transient episodes of heart block that do not require electric shock or pacemaker therapy also used in management of asthma and chronic bronchitis

Get human targets for 5FW in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '5FW' 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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		1x7q HLA, A-11
NUCLEOCAPSID PEPTIDE
(Homo
sapiens)		5 / 12
THR C   6
SER A  71
SER A  11
PHE A  22
TYR A  99
1.79A3.21
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2ajf ACE2
(Homo
sapiens)		5 / 12
ASP B 382
SER B  44
PHE B  40
ASN B 394
TYR B 385
1.59A18.73
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2ajf ACE2
(Homo
sapiens)		5 / 12
ASP A 382
SER A  44
PHE A  40
ASN A 394
TYR A 385
1.46A18.73
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.
4A7T_A_5FWA1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		3 / 3
ASP E 344
LYS E 343
ASP E 341
1.69A21.43
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
1.48A21.65
None
None
None
PO4  H 501 (-3.8A)
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
1.45A21.65
None
None
None
PO4  H 501 (-3.8A)
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 160
VAL H 163
SER H 180
ASN H 197
TYR H 194
1.52A21.25
None
None
None
PO4  H 501 (-3.8A)
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
THR N  58
ASP R  22
VAL R  21
SER M  11
PHE R  16
1.72A17.15
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
THR N  58
ASP R  22
VAL R  21
SER M  11
PHE R  16
1.59A19.05
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL A 394
VAL A 496
SER A 362
ASN A 424
TYR A 481
1.68A16.88
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL A 394
VAL A 496
SER A 362
ASN A 424
TYR A 481
1.68A16.88
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
THR A 643
VAL A 641
SER A 637
SER A 636
SER A 530
1.67A17.31
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 12
THR A 116
VAL A 114
SER A 110
SER A  19
ASN A  22
1.49A17.97
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
THR B 304
VAL B 303
SER A 121
SER A 123
ASN A  28
1.48A21.39
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
THR A  33
VAL A  35
SER C 273
ASN C 277
ASN A  11
1.68A19.89
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
THR A 172
VAL A 169
SER A 129
PHE A 150
TYR A 181
1.62A25.00
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
THR A 172
VAL A 169
SER A 129
PHE A 150
TYR A 181
1.63A24.93
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
VAL A 394
VAL A 496
SER A 362
ASN A 424
TYR A 481
1.71A20.26
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
VAL A 394
VAL A 496
SER A 362
ASN A 424
TYR A 481
1.72A20.26
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		3 / 3
ASN A 479
TRP S 476
ASP S 480
1.79A20.83
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
VAL H 165
VAL H 183
SER H 181
ASN H 198
ASN H 157
1.55A20.39
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
VAL H 165
VAL H 183
SER H 181
ASN H 198
ASN H 157
1.50A20.39
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL E 394
VAL E 496
SER E 362
ASN E 424
TYR E 481
1.68A18.73
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASP B 382
SER B  44
SER B  40
ASN B 394
TYR B 385
1.61A19.41
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.57A18.73
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.61A18.73
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL A 318
SER A 411
SER A 545
PHE A 315
PHE A 314
1.73A18.90
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL A 318
SER A 411
SER A 545
PHE A 315
PHE A 314
1.71A18.90
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.60A20.26
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.
4A7T_A_5FWA1000_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		3i6k HLA, A-2
(Homo
sapiens)		4 / 6
GLU A  55
PRO A  57
TRP A 167
GLU A  58
1.20A19.12
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
VAL A 290
VAL A 118
SER A  98
PHE A 156
PHE A  70
1.51A22.47
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
VAL A 290
VAL A 118
SER A  98
PHE A 156
PHE A  70
1.54A22.47
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL F 394
VAL F 496
SER F 362
ASN F 424
TYR F 481
1.60A22.26
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL F 394
VAL F 496
SER F 362
ASN F 424
TYR F 481
1.59A22.26
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3scj ACE2
(Homo
sapiens)		5 / 12
VAL A 318
SER A 411
SER A 545
PHE A 315
PHE A 314
1.73A19.73
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3sck ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
THR F 487
ASP B 355
SER B  44
ASN B  49
ASN B 330
1.61A22.19
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
THR F 487
ASP B 355
SER B  44
ASN B  49
ASN B 330
1.66A21.00
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL B 318
SER B 411
SER B 545
PHE B 315
PHE B 314
1.74A19.90
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.
4A7T_A_5FWA1000_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
GLU B  30
PRO F 462
LYS B  26
GLU B  23
1.74A12.23
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL B 318
SER B 411
SER B 545
PHE B 315
PHE B 314
1.71A19.90
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
TRP D 159
VAL D 199
VAL D 236
PHE D  89
PHE D 183
1.78A20.41
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
TRP D 159
VAL D 199
VAL D 236
PHE D  89
PHE D 183
1.78A20.52
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
TRP C 159
VAL C 199
VAL C 236
PHE C  89
PHE C 183
1.78A20.51
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
TRP C 159
VAL C 199
VAL C 236
PHE C  89
PHE C 183
1.75A20.51
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.
4A7T_A_5FWA1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		5tl7 UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus)		3 / 3
ASP A 131
LYS A 132
ASP A 103
1.14A18.24
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
VAL B 403
SER B 439
SER B 440
ASN B 475
ASN B 521
1.76A13.30
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
VAL A 354
PHE A 325
SER A 358
PHE A 360
ASN A 330
1.55A13.60
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
SER A 239
PHE A  76
PHE A  22
ASN A 135
ASN A  78
1.75A13.60
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
SER A 239
PHE A  76
PHE A  22
ASN A 135
ASN A  78
1.70A13.21
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
THR C 961
VAL C 958
SER C 856
SER C 855
ASN C1104
1.73A13.08
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL C 388
PHE C 360
ASN C 427
ASN C 424
TYR C 494
1.75A13.34
VAL  C 388 ( 0.6A)
PHE  C 360 ( 1.3A)
ASN  C 427 ( 0.6A)
ASN  C 424 ( 0.6A)
TYR  C 494 ( 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.
4A7T_A_5FWA1000_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		4 / 6
GLU b  26
LYS b  30
LYS b  24
GLU C 918
1.45A17.05
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL B1110
SER B1105
PHE B1071
ASN A 896
ASN A 901
1.62A13.34
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL C 388
PHE C 360
ASN C 427
ASN C 424
TYR C 494
1.73A13.34
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.
4A7T_A_5FWA1000_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		6ack ACE2
(Homo
sapiens)		4 / 6
GLU D 238
LYS D 234
TRP D 606
GLU D 231
1.59A12.90
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL B1110
VAL B1111
PHE B1071
ASN C 896
ASN C 901
1.74A12.99
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL B1110
VAL B1111
SER B1105
PHE B1071
ASN C 896
1.42A12.51
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
THR C 148
VAL C 140
SER C 239
PHE C 137
PHE C  22
1.52A12.52
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL A1110
VAL A1111
PHE A1071
ASN B 896
ASN B 901
1.62A12.51
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.
4A7T_A_5FWA1000_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 6
GLU A  55
PRO A  57
TRP A 167
GLU A  58
1.46A19.77
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6m0j ACE2
(Homo
sapiens)		5 / 12
ASP A 382
SER A  44
PHE A  40
ASN A 394
TYR A 385
1.54A19.73
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6m1d ACE2
(Homo
sapiens)		5 / 12
ASP B 350
SER B  47
SER B  44
PHE B  40
TYR B 385
1.79A15.60
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 174
VAL H 177
SER H 194
ASN H 211
ASN H 169
1.51A20.99
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 177
VAL H 196
SER H 194
ASN H 211
ASN H 169
1.50A20.99
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 174
VAL H 177
SER H 194
ASN H 211
ASN H 169
1.49A21.17
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6nur NSP12
NSP8
(SARSr-CoV)		6 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.56A14.87
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6nur NSP12
NSP8
(SARSr-CoV)		5 / 12
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.56A14.92
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6nur NSP12
NSP8
(SARSr-CoV)		6 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.59A14.87
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		6 / 12
THR H 160
VAL H 163
SER H 180
ASN H 197
ASN H 155
TYR H 194
1.78A21.21
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		6 / 12
THR H 160
VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
1.66A18.97
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL H 182
VAL H 181
PHE L 116
PHE L 118
ASN L 137
1.67A18.97
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.
6H7J_B_5FWB402_0
(BETA-1 ADRENERGIC
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		6 / 12
THR H 160
VAL H 163
SER H 180
ASN H 197
ASN H 155
TYR H 194
1.78A21.21
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
1.52A18.97
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL H 182
VAL H 181
PHE L 116
PHE L 118
ASN L 137
1.66A18.97
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 164
VAL H 167
SER H 184
ASN H 201
ASN H 159
1.55A22.26
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		6 / 12
THR H 164
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.62A21.30
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		6 / 12
THR B 164
VAL B 167
VAL B 186
SER B 184
ASN B 201
ASN B 159
1.60A21.30
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL B 186
VAL B 185
PHE C 122
PHE C 124
ASN C 143
1.60A21.30
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL B 186
VAL B 185
PHE C 122
PHE C 124
ASN C 143
1.61A21.30
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.59A21.30
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.59A21.30
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.47A21.30
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR B 164
VAL B 167
SER B 184
ASN B 201
ASN B 159
1.52A22.26
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.
6H7J_B_5FWB402_0
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR B 164
VAL B 167
SER B 184
ASN B 201
ASN B 159
1.52A22.26
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.
6H7J_B_5FWB402_0
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 164
VAL H 167
SER H 184
ASN H 201
ASN H 159
1.54A22.26
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.
6H7J_B_5FWB402_0
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL B 167
SER B 184
ASN B 201
ASN B 159
TYR B 198
1.80A22.26
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL B 167
VAL B 186
SER B 184
ASN B 201
ASN B 159
1.48A21.30
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.55A22.19
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.54A22.19
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6ym0 HEAVY CHAIN
(Homo
sapiens)		6 / 12
THR H 164
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.65A22.19
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.
6H7J_B_5FWB402_0
(BETA-1 ADRENERGIC
RECEPTOR)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 164
VAL H 167
SER H 184
ASN H 201
ASN H 159
1.55A22.15
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.50A22.19
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 164
VAL H 167
SER H 184
ASN H 201
ASN H 159
1.56A22.15
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		6 / 12
THR H 164
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.62A21.30
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL B 186
VAL B 185
PHE C 122
PHE C 124
ASN C 143
1.58A21.30
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.48A21.30
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL B 167
VAL B 186
SER B 184
ASN B 201
ASN B 159
1.47A21.30
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.
6H7J_B_5FWB402_0
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
THR B 164
VAL B 167
SER B 184
ASN B 201
ASN B 159
1.54A22.26
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		6 / 12
THR B 164
VAL B 167
VAL B 186
SER B 184
ASN B 201
ASN B 159
1.61A21.30
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
THR B 164
VAL B 167
SER B 184
ASN B 201
ASN B 159
1.55A22.26
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
THR H 164
VAL H 167
SER H 184
ASN H 201
ASN H 159
1.55A22.26
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL B 186
VAL B 185
PHE C 122
PHE C 124
ASN C 143
1.59A21.30
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.
6H7J_B_5FWB402_0
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
THR H 164
VAL H 167
SER H 184
ASN H 201
ASN H 159
1.54A22.26
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.59A21.30
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.60A21.30
None