Ligand ID: FYP


Drugbank ID:
DB01205
(Flumazenil)


Indication:
For the complete or partial reversal of the sedative effects of benzodiazepines in cases where general anesthesia has been induced and/or maintained with benzodiazepines, and where sedation has been produced with benzodiazepines for diagnostic and therapeutic procedures. Also for the management of benzodiazepine overdose as an adjunct for appropriate supportive and symptomatic measures.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'FYP' 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.
6D6U_D_FYPD410_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 9
SER A  79
SER A  80
TYR A 113
ALA A 139
THR A 136
1.61A19.80
17.22
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.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
SER A  79
SER A  80
TYR A 113
ALA A 139
THR A 136
1.51A19.80
16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		5 / 11
SER D  78
SER D  79
TYR D 112
ALA D 138
THR D 135
1.46A20.14
15.58
GOL  D 204 (-3.9A)
ZN  D 201 ( 4.1A)
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.
6D6U_D_FYPD410_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		5 / 9
SER D  78
SER D  79
TYR D 112
ALA D 138
THR D 135
1.57A20.14
16.80
GOL  D 204 (-3.9A)
ZN  D 201 ( 4.1A)
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.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
SER C  78
SER C  79
TYR C 112
ALA C 138
THR C 135
1.55A20.14
14.48
None
ZN  C 201 (-3.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6D6U_D_FYPD410_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 9
SER D  78
SER D  79
TYR D 112
ALA D 138
THR D 135
1.66A20.14
15.74
None
ZN  D 202 ( 4.1A)
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.
6D6U_D_FYPD410_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 9
SER A  78
SER A  79
TYR A 112
ALA A 138
THR A 135
1.62A20.14
15.74
None
ZN  A 201 (-3.3A)
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.
6D6U_D_FYPD410_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 9
SER B  78
SER B  79
TYR B 112
ALA B 138
THR B 135
1.61A20.14
15.74
None
ZN  B 202 (-3.2A)
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.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
SER A  78
SER A  79
TYR A 112
ALA A 138
THR A 135
1.52A20.14
14.48
None
ZN  A 201 (-3.3A)
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.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
SER B  78
SER B  79
TYR B 112
ALA B 138
THR B 135
1.50A20.14
14.48
None
ZN  B 202 (-3.2A)
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.
6D6U_D_FYPD410_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 9
SER C  78
SER C  79
TYR C 112
ALA C 138
THR C 135
1.66A20.14
15.74
None
ZN  C 201 (-3.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
SER D  78
SER D  79
TYR D 112
ALA D 138
THR D 135
1.53A20.14
14.48
None
ZN  D 202 ( 4.1A)
None
None
None