Ligand ID: 41X


Drugbank ID:
DB00234
(Reboxetine)


Indication:
For the treatment of clinical depression.

Get human targets for 41X in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '41X' AND SARS-COV-2 / COVID-19 STRUCTURES

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		5r84 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.47A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.50A14.93
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.47A20.37
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.52A20.37
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP C 176
TYR C 161
GLY C  29
VAL C  86
GLY C 179
1.54A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP B 176
TYR B 161
GLY B  29
VAL B  86
GLY B 179
1.59A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.61A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP D 176
TYR D 161
GLY D  29
VAL D  86
GLY D 179
1.59A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.48A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 11
PHE A  48
ALA A 125
ASP A 126
TYR A 129
GLY A  44
1.56A20.48
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 11
ASP A 717
ALA A 706
VAL A 776
TYR A 770
GLY A 774
1.68A20.48
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 11
ASP A 717
ALA A 706
TYR A 770
GLY A 712
GLY A 774
1.63A20.48
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		6 / 11
ASP A 623
VAL A 667
TYR A 453
TYR A 456
GLY A 683
VAL A 662
1.79A20.48
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ALA C 890
VAL B1040
ASP B1041
GLY B 910
GLY B1046
1.54A18.68
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 11
PHE C 515
ALA C 397
VAL C 511
GLY C 431
VAL C 395
1.73A15.77
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP A6895
GLY A6879
VAL B4295
SER A6903
GLY B4322
1.61A
None
SAM  A7104 (-3.6A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP C6895
GLY C6879
VAL D4295
SER C6903
GLY D4322
1.58A15.56
None
SAM  C7105 ( 3.4A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP C6895
TYR C6845
GLY C6875
SER C6903
GLY D4322
1.80A15.56
None
SAM  C7105 ( 4.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP A6895
GLY A6879
VAL B4295
SER A6903
GLY B4322
1.58A15.56
None
SAM  A7102 ( 3.4A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
ASP B 302
ALA B 114
TYR B 112
TYR B 273
SER B 262
1.67A
None
CL  B 502 ( 3.8A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 302
ALA A 114
TYR A 112
TYR A 273
SER A 262
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
ASP C 302
ALA C 114
TYR C 112
TYR C 273
SER C 262
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
ALA C 141
TYR C 136
GLY C 100
SER C 103
GLY C 142
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP A6895
GLY A6879
VAL B4295
SER A6903
GLY B4322
1.59A
None
SAH  A7102 (-3.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP C6895
GLY C6879
VAL D4295
SER C6903
GLY D4322
1.58A
None
SAH  C7102 (-3.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP C6895
TYR C6845
GLY C6875
SER C6903
GLY D4322
1.80A
None
SAH  C7102 (-4.6A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP A6895
TYR A6845
GLY A6875
SER A6903
GLY B4322
1.79A
None
SAH  A7102 (-4.6A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP A6895
TYR A6845
GLY A6875
SER A6903
GLY B4322
1.78A
None
SFG  A7103 ( 4.6A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP C6895
TYR C6845
GLY C6875
SER C6903
GLY D4322
1.79A
None
SFG  C7103 ( 4.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP C6895
GLY C6879
VAL D4295
SER C6903
GLY D4322
1.58A
None
SFG  C7103 ( 3.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP A6895
GLY A6879
VAL B4295
SER A6903
GLY B4322
1.57A
None
SFG  A7103 ( 3.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP A6895
GLY A6879
VAL B4295
SER A6903
GLY B4322
1.59A
None
SAH  A7101 (-3.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP A6895
TYR A6845
GLY A6875
SER A6903
GLY B4322
1.79A
None
SAH  A7101 (-4.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 11
ALA A 141
TYR A 136
GLY A 100
SER A 103
GLY A 142
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.50A14.93
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE A 515
VAL A 433
VAL A 382
SER A 514
GLY A 431
1.70A
None
None
DMS  A 905 (-4.3A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
ALA E 397
VAL E 511
GLY E 431
VAL E 395
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE A 515
ALA A 397
VAL A 511
GLY A 431
VAL A 395
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
VAL E 433
VAL E 382
SER E 514
GLY E 431
1.70A
None
None
DMS  L1601 (-4.2A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
VAL E 433
VAL E 382
SER E 514
GLY E 431
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
ALA E 397
VAL E 511
GLY E 431
VAL E 395
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
ALA E 397
VAL E 511
GLY E 431
VAL E 395
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE A 515
ALA A 397
VAL A 511
GLY A 431
VAL A 395
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
VAL E 433
VAL E 382
SER E 514
GLY E 431
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE A 515
VAL A 433
VAL A 382
SER A 514
GLY A 431
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 11
ASP A 623
TYR A 453
TYR A 456
GLY A 683
VAL A 662
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 11
ASP A 717
ALA A 706
VAL A 776
TYR A 770
GLY A 774
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 11
PHE A  48
ALA A 125
ASP A 126
TYR A 129
GLY A  44
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7btf NSP12
NSP7
(SARS-CoV-2)		5 / 11
ASP A 845
ALA A 443
VAL A 410
TYR A 546
VAL C  11
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 11
ALA A 580
GLY A 584
VAL A 588
SER A 592
GLY A 590
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
ASP A 717
ALA A 706
VAL A 776
TYR A 770
GLY A 774
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
ASP A 623
TYR A 453
TYR A 456
GLY A 683
VAL A 662
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
PHE A  48
ALA A 125
ASP A 126
TYR A 129
GLY A  44
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		6 / 11
ASP A 623
VAL A 667
TYR A 453
TYR A 456
GLY A 683
VAL A 662
1.79A
POP  A1003 ( 3.5A)
None
None
None
U  T  10 ( 3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
ASP A 717
ALA A 706
VAL A 776
TYR A 770
GLY A 774
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
PHE A  48
ALA A 125
ASP A 126
TYR A 129
GLY A  44
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
ALA A 125
VAL A 128
ASP A 126
TYR A 129
GLY A  44
1.60A
None