Ligand ID: FY5


Drugbank ID:
DB04574
(Estrone sulfate)


Indication:
Estropipate is used for the treatment of moderate to severe vasomotor symptoms associated with the monopause, and moderate to severe symptoms of vulval and vaginal atrophy associated with the menopause. It is also used to treat hypoestrogenism due to hypogonadism, castration or primary ovarian failure, and prevent postmenopausal osteoporosis.

Get human targets for FY5 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'FY5' 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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
PHE D 294
VAL D 303
PHE D   8
THR D 111
ILE D 106
1.76A18.20
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6m71 NSP12
(SARS-CoV-2)		5 / 11
ASN A 695
VAL A 473
PHE A 480
ILE A 589
VAL A 587
1.70A21.26
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
VAL B 289
THR B 302
THR B 599
ILE B 598
VAL B 597
1.44A19.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
VAL C 289
THR C 302
THR C 599
ILE C 598
VAL C 597
1.41A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
VAL C 289
THR C 302
THR C 599
ILE C 598
VAL C 597
1.33A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
PHE A 294
VAL A 303
PHE A   8
THR A 111
ILE A 106
1.79A18.20
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
PHE C 216
VAL C 242
MET C 244
THR C 312
ILE C 314
1.75A19.08
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6wiq NSP8
(SARS-CoV-2)		5 / 11
THR B 137
THR B 148
PHE B 147
ILE B 185
VAL B 130
1.80A10.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
PHE A 294
VAL A 303
PHE A   8
THR A 111
ILE A 106
1.79A18.20
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 11
PHE A 216
VAL A 242
MET A 244
THR A 312
ILE A 314
1.78A19.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		6y2e REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
PHE A 294
VAL A 303
PHE A   8
THR A 111
ILE A 106
1.73A18.20
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		7btf NSP7
NSP8
(SARS-CoV-2)		5 / 11
THR D  84
VAL C  12
PHE D  92
ILE C  68
VAL C  66
1.41A16.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		7btf NSP8
(SARS-CoV-2)		5 / 11
THR D 137
THR D 148
PHE D 147
ILE D 185
VAL D 130
1.76A16.16
None