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-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.
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)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 9
TYR A 440
SER B 101
TYR A 481
ASP B 105
TYR B 103
1.71A21.25
17.42
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.
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)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
HIS B 134
THR B 175
TYR B 182
ASP B 187
PHE B 185
1.60A22.60
19.80
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
HIS B 134
THR B 175
TYR B 182
ASP B 187
PHE B 185
1.62A22.60
20.25
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
HIS A 134
THR A 175
TYR A 182
ASP A 187
PHE A 185
1.62A21.85
19.75
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.
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)		3i6k HLA, A-2
(Homo
sapiens)		5 / 9
HIS E  74
ASP E 137
TYR E 118
ALA E 140
THR E 143
1.44A20.72
20.68
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3i6k HLA, A-2
(Homo
sapiens)		5 / 11
HIS E  74
ASP E 137
TYR E 118
ALA E 140
THR E 143
1.43A20.72
19.53
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.
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)		3i6l HLA, A-24
(Homo
sapiens)		5 / 11
TYR D  85
THR D 143
TYR D  84
TYR D 116
ALA D 135
1.75A21.32
19.39
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
SER A  44
TYR A  41
ASP A 382
PHE A 390
ALA A 386
1.75A19.64
18.07
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.
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)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
HIS A 134
THR A 175
TYR A 182
ASP A 187
PHE A 185
1.60A21.59
19.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ack ACE2
(Homo
sapiens)		5 / 11
HIS D 505
SER D 507
SER D 124
TYR D 510
TYR D 127
1.78A19.86
18.07
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.
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)		6ack ACE2
(Homo
sapiens)		5 / 9
HIS D 505
SER D 507
SER D 124
TYR D 510
TYR D 127
1.75A19.86
21.03
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6jyt HELICASE
(SARSr-CoV)		5 / 11
SER A  36
THR A  37
PHE A 106
ALA A 108
THR A 111
1.64A20.47
19.90
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.
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)		6nus NSP12
(SARSr-CoV)		5 / 11
TYR A 516
SER A 564
THR A 567
ASP A 684
ALA A 685
1.67A17.23
14.73
None