Ligand ID: K4D


Drugbank ID:
DB01195
(Flecainide)


Indication:
Flecainide is is a class Ic antiarrhythmic agent and as such, it is used for the prevention of paroxysmal supraventricular tachycardias (PSVT), including atrioventricular nodal reentrant tachycardia, atrioventricular reentrant tachycardia and other supraventricular tachycardias of unspecified mechanism associated with disablin.

Get human targets for K4D in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'K4D' 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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 6
LEU B  27
MET B 165
THR B 175
LEU B  30
1.44A20.31
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		1x7q HLA, A-11
(Homo
sapiens)		4 / 6
THR A 216
LEU A 215
THR A 225
LEU A 201
1.40A22.16
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU B1027
MET B1165
THR B1175
LEU B1030
1.34A20.44
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A  27
MET A 165
THR A 175
LEU A  30
1.40A20.67
ENB  A 307 (-3.5A)
ENB  A 307 (-3.3A)
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LEU C 503
MET C 417
THR C 372
LEU C 377
1.45A21.67
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A  27
MET A 165
THR A 175
LEU A  30
1.32A20.62
AZP  A 401 ( 4.7A)
AZP  A 401 (-3.4A)
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A  27
MET A 165
THR A 175
LEU A  30
1.40A20.44
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 6
LEU A  27
MET A 165
THR A 175
LEU A  30
1.44A20.25
None
BEZ  A1303 (-3.0A)
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
THR A  82
LEU A  85
THR A 110
LEU A  94
1.31A22.66
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
THR A  82
LEU A  85
THR A 110
LEU A  94
1.28A21.45
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU B  27
MET B 165
THR B 175
LEU B  30
1.43A20.44
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		3bgf F26G19 FAB
(Mus
musculus)		4 / 6
THR L 180
LEU L 179
THR H 178
LEU H 124
1.35A19.59
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
THR B 445
LEU B 444
THR B 519
LEU B 439
1.23A18.99
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU B  27
MET B 165
THR B 175
LEU B  30
1.45A19.76
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		3i6g HLA, A-2
(Homo
sapiens)		4 / 6
THR A 216
LEU A 215
THR A 225
LEU A 201
1.40A22.42
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU C  27
MET C 165
THR C 175
LEU C  30
1.31A20.44
PJE  G   5 (-4.2A)
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
THR A  82
LEU A  85
THR A 110
LEU A  94
1.31A22.16
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
THR B 445
LEU B 444
THR B 519
LEU B 439
1.24A19.06
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A  27
MET A 165
THR A 175
LEU A  30
1.44A20.30
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 6
THR A 119
LEU A 122
THR A 308
LEU A 244
1.21A20.39
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU B  27
MET B 165
THR B 175
LEU B  30
1.39A20.06
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
MET A 851
THR A 848
LEU A 847
THR B 678
0.96A13.42
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		6acj ACE2
(Homo
sapiens)		4 / 6
THR D 445
LEU D 444
THR D 519
LEU D 439
1.00A19.50
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		6cs2 ACE2
(Homo
sapiens)		4 / 6
THR D 445
LEU D 444
THR D 519
LEU D 439
1.29A18.74
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		6m17 ACE2
(Homo
sapiens)		4 / 6
THR B 445
LEU B 444
THR B 519
LEU B 439
1.16A16.33
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
THR A 131
MET A 432
THR A 466
LEU A 198
1.34A19.31
None
LEU  A 707 ( 4.7A)
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		6vw1 ACE2
(Homo
sapiens)		4 / 6
THR B 445
LEU B 444
THR B 519
LEU B 439
1.21A19.43
None