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' AND SARS-RELATED PROTEINS ONLY

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

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)		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)		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)		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 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)		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)		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