Ligand ID: SFX


Drugbank ID:
DB00472
(Fluoxetine)


Indication:
Labeled indication include: major depressive disorder (MDD), moderate to severe bulimia nervosa, obsessive-compulsive disorder (OCD), premenstrual dysphoric disorder (PMDD), panic disorder with or without agoraphobia, and combination treatment with olanzapine for treatment-resistant or bipolar I depression. Unlabeled indications include: selective mutism, mild dementia-associated agitation in nonpsychotic patients, post-traumatic stress disorder (PTSD), social anxiety disorder, chronic neuropathic pain, fibromyalgia, and Raynaud's phenomenon.

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

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

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.
3GWW_A_SFXA801_1
(TRANSPORTER)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		6 / 12
GLY H 104
GLN H   5
ILE H  34
ALA H  24
PHE H  29
ASP H  72
1.65A18.08
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU B 153
ILE B 152
PHE B  80
ALA B 136
PHE B 148
1.42A21.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
LEU A 254
GLY A 253
LEU A 248
PHE A 240
ASP A 260
1.48A21.88
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU F  75
GLY F  76
ILE F  71
ALA F  94
ASP F 272
1.48A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		6 / 12
LEU A 275
GLY A 278
LEU A 280
ILE A 282
ALA A 258
ASP A 125
1.73A20.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
LEU H  45
GLY H  44
ILE L  44
ALA L  84
ASP L  41
1.37A18.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 248
LEU B 262
TYR B 252
ILE B 256
ASP B 615
1.46A21.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		6 / 12
LEU A 275
GLY A 278
LEU A 280
ILE A 282
ALA A 258
ASP A 125
1.78A21.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 248
LEU B 262
TYR B 252
ILE B 256
ASP B 615
1.46A21.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A 153
ILE A 152
PHE A  80
ALA A 136
PHE A 148
1.39A21.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLY B 110
LEU B 117
ILE B 166
PHE B  89
ALA B 119
1.27A21.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLY B 110
LEU B 117
ILE B 166
PHE B  89
ALA B 119
1.28A21.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
GLY C 110
LEU C 117
ILE C 166
PHE C  89
ALA C 119
1.29A22.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU D 153
ILE D 152
PHE D  80
ALA D 136
PHE D 148
1.42A21.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
GLY B 825
LEU B 821
GLN A  72
ILE B1071
ASP B1064
1.26A16.97
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 597
GLY A 634
LEU A 636
GLN A 630
ILE A 652
1.43A18.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLN C 902
TYR C1049
ILE C 702
PHE C 888
ALA C 906
1.27A17.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6jyt HELICASE
(SARSr-CoV)		5 / 12
LEU A 526
GLY A 527
LEU A 528
ILE A 493
PHE A 511
1.46A22.08
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		5 / 12
LEU F 948
LEU F 945
GLN F1180
ILE E1179
ALA F 942
1.38A14.86
None
None
ZN  F1301 ( 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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6lzg ACE2
(Homo
sapiens)		5 / 12
LEU A 418
LEU A 424
ILE A 291
PHE A 428
ASP A 431
1.41A21.48
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6m0j ACE2
(Homo
sapiens)		5 / 12
LEU A 418
LEU A 424
ILE A 291
PHE A 428
ASP A 431
1.39A21.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		7 / 12
LEU C  52
GLY C  53
ARG C  57
TYR C 129
ILE C 132
PHE C 277
ASP C 486
1.06A26.91
None
LEU  C 707 ( 4.6A)
None
LEU  C 707 ( 3.9A)
None
LEU  C 707 (-3.3A)
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6m17 ACE2
(Homo
sapiens)		5 / 12
LEU D 418
LEU D 424
ILE D 291
PHE D 428
ASP D 431
1.45A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 12
GLY A 839
LEU A 838
PHE A 843
ALA A 423
PHE A 429
1.36A20.48
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6nur NSP12
(SARSr-CoV)		5 / 12
LEU A 178
GLY A 179
GLN A 184
ILE A 145
ASP A 211
1.39A19.90
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		6 / 12
LEU C 922
GLN C 920
TYR C1067
ILE C 720
PHE C 906
ALA C 924
1.72A17.46
NAG  C1310 (-4.4A)
None
None
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU A 922
GLN A 920
TYR A1067
PHE A 906
ALA A 924
1.49A17.95
NAG  A1313 (-4.9A)
None
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLY H  94
GLN H   6
TYR L  96
ILE H  50
ALA H  78
1.64A15.57
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 12
LEU C 513
GLY C 431
ILE C 434
PHE C 429
PHE C 377
1.72A14.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
LEU L  15
GLY L  16
ILE L 106
ALA L  19
ASP L  82
1.51A14.85
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w4h NSP16
(SARS-CoV-2)		6 / 12
LEU A7073
GLY A7076
LEU A7078
ILE A7080
ALA A7056
ASP A6923
1.75A20.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU A7078
GLY A7076
LEU A7073
ARG A7077
ILE A7069
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU A6959
GLY A6963
TYR A7009
ILE A6955
ALA A6966
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		6 / 12
LEU A7073
GLY A7076
LEU A7078
ILE A7080
ALA A7056
ASP A6923
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU C6959
GLY C6963
TYR C7009
ILE C6955
ALA C6966
1.66A15.14
None
None
NA  C7103 ( 4.8A)
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		6 / 12
LEU A7073
GLY A7076
LEU A7078
ILE A7080
ALA A7056
ASP A6923
1.76A15.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU A7004
LEU A6978
ILE A6969
PHE A6948
ASP A6928
1.76A15.14
None
None
None
None
SAM  A7102 ( 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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU C7004
LEU C6978
ILE C6969
PHE C6948
ASP C6928
1.75A15.14
None
None
None
FMT  C7115 ( 4.3A)
SAM  C7105 ( 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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		6 / 12
LEU C7073
GLY C7076
LEU C7078
ILE C7080
ALA C7056
ASP C6923
1.76A15.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU A6959
GLY A6963
TYR A7009
ILE A6955
ALA A6966
1.68A15.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
LEU B  58
LEU B  80
ALA B  68
ASP B  62
ASP B  61
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
LEU B 125
LEU B 120
GLN B 122
ALA B 116
ASP B 302
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
LEU C 125
LEU C 120
GLN C 122
ALA C 116
ASP C 302
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
LEU B 150
LEU B 132
GLN B 174
ALA B 176
PHE B 127
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
LEU B 152
ILE B 151
PHE B  79
ALA B 135
PHE B 147
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY A 287
LEU A 291
ARG A 277
ILE A 304
ALA A 264
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
LEU D 291
GLY D 287
TYR D 298
ILE D 304
PHE C 315
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY B 287
LEU B 291
ARG B 277
ILE B 304
ALA B 264
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
LEU F 291
GLY F 287
TYR F 298
ILE F 304
PHE E 315
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
LEU E 291
GLY E 287
TYR E 298
ILE E 304
PHE F 315
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY D 287
LEU D 291
ARG D 277
ILE D 304
ALA D 264
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY F 287
LEU F 291
ARG F 277
ILE F 304
ALA F 264
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
LEU C 291
GLY C 287
TYR C 298
ILE C 304
PHE D 315
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY E 287
LEU E 291
ARG E 277
ILE E 304
ALA E 264
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY C 287
LEU C 291
ARG C 277
ILE C 304
ALA C 264
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
LEU A 291
GLY A 287
TYR A 298
ILE A 304
PHE B 315
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		6 / 12
LEU C7073
GLY C7076
LEU C7078
ILE C7080
ALA C7056
ASP C6923
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU C6959
GLY C6963
TYR C7009
ILE C6955
ALA C6966
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		6 / 12
LEU A7073
GLY A7076
LEU A7078
ILE A7080
ALA A7056
ASP A6923
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU A6959
GLY A6963
TYR A7009
ILE A6955
ALA A6966
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
LEU C 113
GLN C  83
TYR C  86
PHE C 110
ALA C 138
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
LEU B 113
GLN B  83
TYR B  86
PHE B 110
ALA B 138
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
LEU C7073
GLY C7076
ILE C7080
ALA C7056
ASP C6923
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
LEU C7073
GLY C7076
LEU C7078
ILE C7080
ASP C6923
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
LEU A7004
LEU A6978
ILE A6969
PHE A6948
ASP A6928
1.76A
None
None
None
None
SFG  A7103 ( 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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		6 / 12
LEU A7073
GLY A7076
LEU A7078
ILE A7080
ALA A7056
ASP A6923
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
LEU A6959
GLY A6963
TYR A7009
ILE A6955
ALA A6966
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
LEU C7004
LEU C6978
ILE C6969
PHE C6948
ASP C6928
1.76A
None
None
None
FMT  C7105 ( 4.4A)
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
LEU C6959
GLY C6963
TYR C7009
ILE C6955
ALA C6966
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
LEU A7078
GLY A7076
LEU A7073
ARG A7077
ILE A7069
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
LEU A 246
GLY A 248
LEU A 249
ILE A 281
ASP A 268
1.69A
None
U5P  A 401 ( 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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
GLY B 254
LEU B 251
ILE B 236
PHE B 214
PHE B 303
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
LEU B 246
GLY B 248
LEU B 249
ILE B 281
ASP B 268
1.68A
None
U5P  B 401 ( 4.4A)
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
GLY A 254
LEU A 251
ILE A 236
PHE A 214
PHE A 303
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
LEU A 255
GLY A 254
ARG A 258
ILE A 281
ASP A 283
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		6 / 12
LEU A7073
GLY A7076
LEU A7078
ILE A7080
ALA A7056
ASP A6923
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU A6959
GLY A6963
TYR A7009
ILE A6955
ALA A6966
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wqd NSP7
(SARS-CoV-2)		5 / 12
LEU A  56
LEU A  59
GLN A  63
ALA A  65
ASP A  67
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wqd NSP7
(SARS-CoV-2)		5 / 12
LEU C  56
LEU C  59
GLN C  63
ALA C  65
ASP C  67
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
LEU A 125
LEU A 120
GLN A 122
ALA A 116
ASP A 302
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
LEU A  80
GLY A  81
LEU A  58
TYR A  72
ASP A  76
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
LEU A 150
LEU A 132
GLN A 174
ALA A 176
PHE A 127
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
LEU A  80
GLY A  81
ARG A  82
TYR A  72
ASP A  76
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU E 513
GLY E 431
ILE E 434
PHE E 429
PHE E 377
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU A 513
GLY A 431
ILE A 434
PHE A 429
PHE A 377
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU C  15
GLY C  16
ILE C 112
ALA C  19
ASP C  88
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU L  15
GLY L  16
ILE L 112
ALA L  19
ASP L  88
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY H  98
GLN H   6
TYR L 102
ILE H  50
ALA H  79
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLY B  98
GLN B   6
TYR C 102
ILE B  50
ALA B  79
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU L  15
GLY L  16
ILE L 112
ALA L  19
ASP L  88
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU E 513
GLY E 431
ILE E 434
PHE E 429
PHE E 377
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU E 513
GLY E 431
ILE E 434
PHE E 429
PHE E 377
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU A 513
GLY A 431
ILE A 434
PHE A 429
PHE A 377
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
LEU C  15
GLY C  16
ILE C 112
ALA C  19
ASP C  88
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
GLY B  98
GLN B   6
TYR C 102
ILE B  50
ALA B  79
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
GLY H  98
GLN H   6
TYR L 102
ILE H  50
ALA H  79
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
LEU L  15
GLY L  16
ILE L 112
ALA L  19
ASP L  88
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7btf NSP12
NSP7
(SARS-CoV-2)		5 / 12
GLY A 839
LEU A 838
PHE A 843
ALA A 423
ASP C   5
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 178
GLY A 179
GLN A 184
ILE A 145
ASP A 211
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7btf NSP12
NSP7
(SARS-CoV-2)		5 / 12
GLY A 841
PHE A 843
ALA A 423
PHE A 429
ASP C   5
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 437
GLY A 839
LEU A 838
PHE A 843
ASP A 421
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 437
GLY A 839
LEU A 838
PHE A 843
ASP A 418
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7btf NSP12
NSP7
(SARS-CoV-2)		5 / 12
GLY A 839
PHE A 843
ALA A 423
PHE A 429
ASP C   5
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 575
GLY A 486
GLN A 570
PHE A 571
ASP A 684
1.80A
None
ZN  A1002 ( 4.7A)
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7btf NSP12
NSP7
(SARS-CoV-2)		5 / 12
GLY A 841
LEU A 838
PHE A 843
ALA A 423
ASP C   5
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 437
GLY A 839
LEU A 838
PHE A 843
ASP A 421
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 437
GLY A 839
LEU A 838
PHE A 843
ASP A 418
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
GLY A 203
GLN A 224
PHE A 222
ALA A 199
ASP A  92
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
GLY A 839
LEU A 838
PHE A 843
ALA A 423
PHE A 429
1.37A
None