Ligand ID: CU9


Drugbank ID:
DB01336
(Metocurine)


Indication:
Metocurine is a muscle relaxant.

Get human targets for CU9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CU9'

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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 6
THR A  54
GLN A 138
ILE A  52
SER A  56
1.68A20.09
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		4 / 6
GLN L  37
TYR L  86
GLN L   7
ILE L  21
1.47A23.48
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 7
TYR S  27
TYR S  76
CYH S  90
CYH S  77
1.63A20.09
None
None
ZN  S 998 (-2.2A)
ZN  S 998 (-1.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 6
THR A 292
GLN A 127
GLN A 110
ILE A 106
1.53A22.88
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
THR A  48
GLN A  49
ILE A  40
SER A 243
1.70A21.15
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
THR A  48
GLN A  49
ILE A  40
SER A 243
1.69A20.83
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.
3PEO_A_CU9A301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2xyr NSP10
(SARSr-CoV)		5 / 12
VAL B  42
ILE B  99
TYR B  27
TYR B  76
CYH B  90
1.72A20.64
None
None
None
None
ZN  B1132 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		4 / 6
THR H  31
TYR H  52
ILE S 489
SER S 362
1.54A24.60
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.
3PEO_A_CU9A301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		5 / 12
GLN C  27
ILE C   2
SER C  30
TYR C  91
TYR A 491
1.72A23.29
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
THR A 292
GLN A 127
GLN A 110
ILE A 106
1.64A20.45
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
THR B 292
GLN B 127
GLN B 110
ILE B 106
1.71A20.45
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.
3PEO_D_CU9D301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3i6g HLA, A-2
(Homo
sapiens)		5 / 10
TYR D   7
TYR D  59
THR D 163
TYR D 159
GLN A 155
1.50A20.86
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.
3PEO_J_CU9J301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3i6g HLA, A-2
(Homo
sapiens)		5 / 11
TYR A   7
TYR A  59
THR A 163
TYR A 159
GLN D 155
1.53A20.86
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3i6g HLA, A-2
(Homo
sapiens)		5 / 12
TYR A   7
TYR A  59
THR A 163
TYR A 159
GLN D 155
1.59A20.86
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.
3PEO_J_CU9J301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3i6l HLA, A-24
NUCLEOPROTEIN
PEPTIDE
(Homo
sapiens;
SARSr-CoV)		5 / 11
TYR D 123
TRP D 147
TYR D 116
ILE F   7
SER D  11
1.73A21.24
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3i6l HLA, A-24
NUCLEOPROTEIN
PEPTIDE
(Homo
sapiens;
SARSr-CoV)		4 / 6
TYR D 116
GLN D 156
ILE F   7
SER D   9
1.47A21.24
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR B 161
CYH B 128
TYR B 118
GLN C 299
SER B 147
1.75A20.45
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
THR C 292
GLN A 127
GLN A 110
ILE A 106
1.59A20.45
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
THR A 292
GLN A 127
GLN A 110
ILE A 106
1.67A20.45
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
THR A  48
GLN A  49
ILE A  40
SER A 243
1.70A20.57
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LYS A 353
TYR E 481
THR E 425
GLN E 492
TYR E 494
1.64A16.18
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3to2 MD3-C9 PEPTIDE
DERIVED FROM
MEMBRANE
GLYCOPROTEIN
MHC CLASS I ANTIGEN
(Homo
sapiens;
SARS-COV
TJF)		4 / 7
TYR A 116
TRP A 147
TYR A  99
CYH C   3
1.79A20.86
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
THR A 292
GLN A 127
GLN A 110
ILE A 106
1.63A20.45
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		5 / 12
TYR A 269
TYR A 274
CYH A 112
TYR A 265
GLN B  40
1.79A20.24
None
None
AYE  B  76 ( 1.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
TYR D 269
TYR D 274
CYH D 112
TYR D 265
1.47A20.24
None
None
AYE  E  76 (-1.6A)
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
TYR A 447
LYS A 318
CYH A 484
CYH A 452
1.64A16.28
None
None
ZN  A 603 (-2.5A)
ZN  A 603 (-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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
TYR B 269
TYR B 274
CYH B 112
TYR B 265
1.41A22.40
None
None
AYE  A 157 ( 1.6A)
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
THR B1087
GLN B1088
ILE B 694
SER B1093
1.69A11.10
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
TYR B  71
THR A 579
GLN A 636
TYR A 632
GLN A 628
1.78A10.50
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5x5f S PROTEIN
(MERS-CoV)		4 / 6
THR B 574
GLN B 471
ILE B 428
SER B 472
1.39A10.50
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
GLN C 895
TYR C 886
GLN C 883
ILE C 878
1.56A10.90
GLN  C 895 ( 0.6A)
TYR  C 886 ( 1.3A)
GLN  C 883 ( 0.6A)
ILE  C 878 ( 0.6A)
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		4 / 6
GLN C 917
TYR c  36
GLN A 904
ILE c  37
1.69A16.97
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR A 921
GLN A 786
ILE A 800
SER A 919
1.42A10.90
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.
3PEO_J_CU9J301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
TYR B 819
LYS B 818
GLN B 835
ILE B 832
SER A 574
1.62A10.98
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.
3PEO_A_CU9A301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLN C 396
VAL C 496
ILE C 405
TYR C 338
TYR C 481
1.74A10.98
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
THR A 991
GLN C 992
GLN A 993
ILE A 752
1.66A10.98
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6jyt HELICASE
(SARSr-CoV)		4 / 6
THR A 552
GLN A 548
ILE A 480
SER A 555
1.69A17.38
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.
3PEO_J_CU9J301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6lzg ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
TYR B 505
LYS A 353
GLN B 506
ILE B 402
SER B 443
1.79A22.80
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		4 / 6
GLN E 493
TYR E 453
GLN E 409
ILE E 418
1.56A22.80
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m0j ACE2
(Homo
sapiens)		4 / 6
THR A  20
GLN A  24
GLN A  89
ILE A  88
1.69A17.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
THR C 559
TYR C 560
GLN C 574
ILE C 562
1.54A17.02
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR C 161
CYH C 128
TYR C 118
GLN A 299
SER C 147
1.78A22.56
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR B 161
CYH B 128
TYR B 118
GLN D 299
SER B 147
1.76A22.56
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR D 161
CYH D 128
TYR D 118
GLN B 299
SER D 147
1.79A22.56
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
THR D 292
GLN D 127
GLN D 110
ILE D 106
1.77A22.56
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.
3PEO_B_CU9B301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR A 161
CYH A 128
TYR A 118
GLN C 299
SER A 147
1.78A22.56
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
THR A 292
GLN A 127
GLN A 110
ILE A 106
1.78A22.56
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
THR B 894
GLN B1095
GLN B 895
SER B1093
1.69A10.68
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 6
GLN L  42
TYR L  91
GLN L   6
ILE L  21
1.43A22.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6nus NSP12
(SARSr-CoV)		4 / 6
THR A 531
TYR A 530
GLN A 661
ILE A 536
1.70A13.10
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
THR B 874
GLN B1054
GLN B 872
SER B1055
1.12A10.91
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN F 493
TYR F 453
GLN F 409
ILE F 418
1.66A19.50
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
THR C 874
GLN C1054
GLN C 872
SER C1055
1.18A11.08
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
THR B 874
GLN B1054
GLN B 872
SER B1055
1.22A11.32
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
THR H  68
GLN H  64
TYR H  59
ILE H  51
1.62A21.78
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
THR L  94
GLN L  89
TYR L  96
ILE H  98
1.80A22.88
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 6
GLN C 493
TYR C 453
GLN C 409
ILE C 418
1.67A19.31
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.
3PEO_J_CU9J301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 11
TYR L  96
GLN L   3
ILE L   2
SER H  62
SER H  60
1.59A22.88
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
GLN L  37
TYR L  86
GLN L   6
ILE L  21
1.41A22.88
SO4  L 302 ( 4.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 6
GLN C 493
TYR C 453
ILE C 418
SER C 494
1.72A19.31
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR A6846
GLN A6847
ILE A6838
SER A7041
1.74A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w75 NSP16
(SARS-CoV-2)		4 / 6
THR A6846
GLN A6847
ILE A6838
SER A7041
1.73A20.87
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w75 NSP16
(SARS-CoV-2)		4 / 6
THR C6846
GLN C6847
ILE C6838
SER C7041
1.72A20.87
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
TRP C 106
TYR B 273
CYH B 111
TYR B 264
1.37A23.46
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
TRP A 106
TYR C 273
CYH C 111
TYR C 264
1.37A23.46
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
TRP B 106
TYR A 273
CYH A 111
TYR A 264
1.51A23.46
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR A6846
GLN A6847
ILE A6838
SER A7041
1.71A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR C6846
GLN C6847
ILE C6838
SER C7041
1.75A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wkq NSP16
(SARS-CoV-2)		4 / 6
THR C6846
GLN C6847
ILE C6838
SER C7041
1.73A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wkq NSP16
(SARS-CoV-2)		4 / 6
THR A6846
GLN A6847
ILE A6838
SER A7041
1.72A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 6
THR A6846
GLN A6847
ILE A6838
SER A7041
1.73A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 6
THR H  69
GLN H  65
TYR H  60
ILE H  51
1.63A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
GLN C  43
TYR C  92
GLN C   6
ILE C  21
1.42A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
GLN L  43
TYR L  92
GLN L   6
ILE L  21
1.41A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN E 493
TYR E 453
GLN E 409
ILE E 418
1.68A
MLI  E 903 ( 4.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
THR B  31
GLN B   1
TYR A 369
SER B 100
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN A 493
TYR A 453
GLN A 409
ILE A 418
1.68A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 6
THR B  69
GLN B  65
TYR B  60
ILE B  51
1.65A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
THR H  31
GLN H   1
TYR E 369
SER H 100
1.40A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 6
GLN L  43
TYR L  92
GLN L   6
ILE L  21
1.40A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN E 493
TYR E 453
GLN E 409
ILE E 418
1.63A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
THR L 100
GLN L  96
TYR L 102
ILE H  50
1.80A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 6
THR H  69
GLN H  65
TYR H  60
ILE H  51
1.64A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN A 493
TYR A 453
GLN A 409
ILE A 418
1.68A
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.
3PEO_J_CU9J301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLN E 493
TYR E 453
GLN E 409
ILE E 418
SER B  17
1.76A19.92
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 6
THR B  69
GLN B  65
TYR B  60
ILE B  51
1.62A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
TYR E 453
GLN E 409
ILE E 418
SER B  17
1.72A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
GLN L  43
TYR L  92
GLN L   6
ILE L  21
1.41A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
THR B  31
GLN B   1
TYR A 369
SER B 100
1.40A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
GLN C  43
TYR C  92
GLN C   6
ILE C  21
1.41A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 6
THR H  69
GLN H  65
TYR H  60
ILE H  51
1.63A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 6
THR L 100
GLN L  95
TYR L 102
ILE H 102
1.80A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
GLN E 493
TYR E 453
GLN E 409
ILE E 418
1.68A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
THR H  31
GLN H   1
TYR E 369
SER H 100
1.40A
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 6
THR A 111
GLN A 110
ILE A 106
SER A 113
1.77A
None
None
None
DMS  A 406 ( 4.8A)