Ligand ID: 21B


Drugbank ID:
DB00540
(Nortriptyline)


Indication:
Primarily indicated for the relief of symptoms of depression.

Get human targets for 21B in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '21B' 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.
4M48_A_21BA704_1
(TRANSPORTER)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
PHE A 140
VAL A 125
SER A 147
ALA A   7
1.73A14.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.43A14.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.37A20.51
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.
4M48_A_21BA704_1
(TRANSPORTER)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.36A20.47
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.
4M48_A_21BA704_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
PHE B 140
SER B 139
GLY B 138
ALA B   7
1.35A20.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.40A20.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
PHE C 140
SER C 139
GLY C 138
ALA C   7
1.35A20.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
PHE D 140
SER D 139
GLY D 138
ALA D   7
1.29A20.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.39A20.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A 326
VAL A 675
SER A 325
GLY A 327
1.49A20.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 717
VAL A 776
TYR A 770
GLY A 774
1.55A20.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A 222
ASP A 218
VAL A  96
ALA A  95
1.53A20.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		4 / 8
VAL A 535
SER A 343
GLY A 345
ALA A 656
1.51A20.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 684
SER A 681
GLY A 679
ALA A 634
1.32A20.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		4 / 8
VAL A 827
ASP A 825
TYR A 826
GLY A 823
1.56A20.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 623
VAL A 667
SER A 682
GLY A 559
1.52A20.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
VAL B1129
TYR C 917
GLY B1131
ALA B1087
1.06A18.27
None
None
NAG  B1305 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR C 674
SER C 605
GLY C 601
ALA C 672
0.90A18.46
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.
4M48_A_21BA704_1
(TRANSPORTER)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR C 674
SER C 605
GLY C 601
ALA C 672
0.85A18.46
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
PHE C 515
VAL C 433
SER C 514
GLY C 431
1.73A16.09
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
ASP C 398
SER C 514
GLY C 431
ALA C 411
1.79A16.09
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
VAL C 407
ASP C 405
GLY C 504
ALA C 435
1.38A16.09
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
PHE C 347
ASP C 442
VAL C 350
TYR C 451
1.63A16.09
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ASP A6928
VAL A6882
TYR A6845
ALA A6881
1.77A15.96
SAM  A7104 (-3.8A)
None
SAM  A7104 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 8
ASP A6895
VAL A6882
SER A6903
GLY B4322
1.79A15.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
PHE A6901
ASP A6928
SER A6872
GLY A6869
1.51A
None
SAM  A7104 (-3.8A)
SAM  A7104 (-4.4A)
SAM  A7104 (-3.6A)
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ASP A6931
ASP A6897
GLY A6869
ALA A6914
1.61A15.96
EDO  A7102 (-4.6A)
SAM  A7104 (-2.8A)
SAM  A7104 (-3.6A)
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 153
SER A 158
GLY A 149
ALA A   7
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w6y NSP3
(SARS-CoV-2)		4 / 8
VAL A 155
ASP A 157
TYR A 161
ALA A 154
1.77A15.53
AMP  A 201 ( 4.4A)
None
None
AMP  A 201 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w6y NSP3
(SARS-CoV-2)		4 / 8
VAL B  95
SER B 111
GLY B  78
ALA B  38
1.72A15.53
None
None
None
MES  B 201 ( 3.4A)
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w6y NSP3
(SARS-CoV-2)		4 / 8
VAL B 155
ASP B 157
TYR B 161
ALA B 154
1.72A15.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w6y NSP3
(SARS-CoV-2)		4 / 8
VAL B  95
SER B 111
GLY B  79
ALA B  38
1.61A15.53
None
None
None
MES  B 201 ( 3.4A)
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP A6928
VAL A6882
TYR A6845
ALA A6881
1.77A15.85
SAM  A7102 ( 3.7A)
None
SAM  A7102 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP A6931
ASP A6897
GLY A6869
ALA A6914
1.56A15.85
None
SAM  A7102 ( 2.6A)
SAM  A7102 ( 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.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		4 / 8
PHE A6901
ASP A6928
SER A6872
GLY A6869
1.43A15.85
None
SAM  A7102 ( 3.7A)
SAM  A7102 ( 4.6A)
SAM  A7102 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		4 / 8
PHE C6901
ASP C6928
SER C6872
GLY C6869
1.44A15.85
None
SAM  C7105 ( 3.7A)
SAM  C7105 ( 4.4A)
SAM  C7105 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP10
(SARS-CoV-2)		4 / 8
PHE B4272
ASP D4282
VAL D4274
ALA B4276
1.73A11.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP C6942
ASP C7018
TYR C7020
GLY C7019
1.79A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP C6931
ASP C6897
GLY C6869
ALA C6914
1.65A15.85
None
SAM  C7105 ( 2.7A)
SAM  C7105 ( 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.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP10
(SARS-CoV-2)		4 / 8
PHE D4272
ASP D4275
VAL B4274
ASP B4275
1.58A11.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
ASP A6895
VAL A6882
SER A6903
GLY B4322
1.73A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
ASP C6895
VAL C6882
SER C6903
GLY D4322
1.73A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP C6928
VAL C6882
TYR C6845
ALA C6881
1.78A15.85
SAM  C7105 ( 3.7A)
None
SAM  C7105 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL C 165
ASP C 164
SER C 245
ALA C 116
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 164
TYR A 273
GLY A 266
ALA A 249
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL B  41
TYR B  27
GLY B  32
ALA B  39
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.
4M48_A_21BA704_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL A  41
TYR A  27
GLY A  32
ALA A  39
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL B 165
ASP B 164
SER B 245
ALA B 116
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ASP B 164
TYR B 273
GLY B 266
ALA B 249
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.
4M48_A_21BA704_1
(TRANSPORTER)		6wey NSP3
(SARS-CoV-2)		4 / 8
ASP A 361
VAL A 253
GLY A 334
ALA A 256
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.
4M48_A_21BA704_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE D 286
VAL D 270
GLY D 287
ALA D 264
1.18A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE F 286
VAL F 270
GLY F 287
ALA F 264
1.18A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE C 286
VAL C 270
GLY C 287
ALA C 264
1.17A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE A 286
VAL A 270
GLY A 287
ALA A 264
1.17A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE F 315
TYR E 333
SER F 318
ALA E 313
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.
4M48_A_21BA704_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE B 286
VAL B 270
GLY B 287
ALA B 264
1.19A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE E 286
VAL E 270
GLY E 287
ALA E 264
1.17A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
PHE A6901
ASP A6928
SER A6872
GLY A6869
1.46A
None
SAH  A7102 (-3.7A)
SAH  A7102 ( 4.6A)
SAH  A7102 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
PHE C6901
ASP C6928
SER C6872
GLY C6869
1.46A
None
SAH  C7102 (-3.7A)
SAH  C7102 (-4.7A)
SAH  C7102 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ASP A6931
ASP A6897
GLY A6869
ALA A6914
1.56A
None
SAH  A7102 (-2.6A)
SAH  A7102 (-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.
4M48_A_21BA704_1
(TRANSPORTER)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP B  82
TYR B 112
GLY B  85
ALA B 119
1.57A
 ZN  B 202 (-2.3A)
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.
4M48_A_21BA704_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		4 / 8
PHE A6901
ASP A6928
SER A6872
GLY A6869
1.43A
None
SFG  A7103 ( 3.6A)
SFG  A7103 ( 4.5A)
SFG  A7103 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		4 / 8
ASP A6931
ASP A6897
GLY A6869
ALA A6914
1.56A
None
SFG  A7103 ( 2.7A)
SFG  A7103 ( 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.
4M48_A_21BA704_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		4 / 8
PHE C6901
ASP C6928
SER C6872
GLY C6869
1.42A
None
SFG  C7103 ( 3.7A)
SFG  C7103 ( 4.5A)
SFG  C7103 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
PHE A 214
VAL A 304
ASP A 301
TYR A 226
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
PHE B 214
VAL B 304
ASP B 301
TYR B 226
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
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.
4M48_A_21BA704_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 8
ASP A6900
VAL A6876
GLY A6871
ALA B4324
1.54A
None
None
SAH  A7101 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ASP A6931
ASP A6897
GLY A6869
ALA A6914
1.54A
None
SAH  A7101 (-2.7A)
SAH  A7101 (-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.
4M48_A_21BA704_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
PHE A6901
ASP A6928
SER A6872
GLY A6869
1.45A
None
SAH  A7101 (-3.7A)
SO4  A7109 (-4.5A)
SAH  A7101 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
VAL A 165
ASP A 164
GLY A 163
ALA A 116
1.41A
None
GOL  A 508 (-3.4A)
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.
4M48_A_21BA704_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
VAL A  41
TYR A  27
GLY A  32
ALA A  39
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.
4M48_A_21BA704_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
ASP A 164
TYR A 273
GLY A 266
ALA A 249
1.52A
GOL  A 508 (-3.4A)
GOL  A 508 (-4.9A)
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
PHE A 140
VAL A 125
SER A 147
ALA A   7
1.73A14.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.40A14.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
TYR A  71
SER A  11
GLY A 107
ALA A  79
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
PHE E 515
VAL E 433
SER E 514
GLY E 431
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
PHE A 515
VAL A 433
SER A 514
GLY A 431
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.
4M48_A_21BA704_1
(TRANSPORTER)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
PHE E 515
VAL E 433
SER E 514
GLY E 431
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.
4M48_A_21BA704_1
(TRANSPORTER)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
VAL E 407
ASP E 405
GLY E 504
ALA E 435
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
PHE E 515
VAL E 433
SER E 514
GLY E 431
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
PHE A 515
VAL A 433
SER A 514
GLY A 431
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.
4M48_A_21BA704_1
(TRANSPORTER)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
PHE A 156
ASP A 157
VAL B 144
ASP B 145
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
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.
4M48_A_21BA704_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 684
SER A 681
GLY A 679
ALA A 634
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.
4M48_A_21BA704_1
(TRANSPORTER)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
ASP B 112
VAL A 353
TYR A 273
GLY A 345
1.15A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 717
VAL A 776
TYR A 770
GLY A 774
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		4 / 8
VAL A 827
ASP A 825
TYR A 826
GLY A 823
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		4 / 8
VAL A 535
SER A 343
GLY A 345
ALA A 656
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 390
TYR A 674
GLY A 671
ALA A 382
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		4 / 8
PHE A 326
VAL A 675
SER A 325
GLY A 327
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.
4M48_A_21BA704_1
(TRANSPORTER)		7btf NSP12
NSP7
(SARS-CoV-2)		4 / 8
PHE A 440
VAL C   6
ASP C   5
ALA C  48
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 517
ASP A 523
SER A 518
ALA A 490
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.
4M48_A_21BA704_1
(TRANSPORTER)		7btf NSP12
NSP7
(SARS-CoV-2)		4 / 8
PHE A 429
ASP C   5
VAL C  11
SER C   4
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.
4M48_A_21BA704_1
(TRANSPORTER)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 153
SER A 158
GLY A 149
ALA A   7
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.
4M48_A_21BA704_1
(TRANSPORTER)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
PHE A 140
SER A 139
GLY A 138
ALA A   7
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
PHE A 326
VAL A 675
SER A 325
GLY A 327
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.
4M48_A_21BA704_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
VAL A 827
ASP A 825
TYR A 826
GLY A 823
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
VAL A 535
SER A 343
GLY A 345
ALA A 656
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.
4M48_A_21BA704_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 358
VAL A 354
GLY A 345
ALA A 656
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.
4M48_A_21BA704_1
(TRANSPORTER)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ASP B 112
VAL A 353
TYR A 273
GLY A 345
1.26A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 684
SER A 681
GLY A 679
ALA A 634
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.
4M48_A_21BA704_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 517
ASP A 523
SER A 518
ALA A 490
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.
4M48_A_21BA704_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 717
VAL A 776
TYR A 770
GLY A 774
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
PHE A 283
VAL A 234
ASP A 235
TYR A 238
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.
4M48_A_21BA704_1
(TRANSPORTER)		7bv2 NSP12
NSP7
(SARS-CoV-2)		4 / 8
PHE A 440
VAL C   6
ASP C   5
ALA C  48
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.
4M48_A_21BA704_1
(TRANSPORTER)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ASP B 112
VAL A 353
TYR A 273
GLY A 345
1.16A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 326
VAL A 675
SER A 325
GLY A 327
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 390
VAL A 667
TYR A 674
SER A 397
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 517
ASP A 523
SER A 518
ALA A 490
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.
4M48_A_21BA704_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 717
VAL A 776
TYR A 770
GLY A 774
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.
4M48_A_21BA704_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 422
VAL A 880
ASP A 879
ALA A 866
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.
4M48_A_21BA704_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 684
SER A 681
GLY A 679
ALA A 634
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 358
VAL A 354
GLY A 345
ALA A 656
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
VAL A 827
ASP A 825
TYR A 826
GLY A 823
1.27A
None