Ligand ID: BBI


Drugbank ID:
DB01118
(Amiodarone)


Indication:
Intravenously, for initiation of treatment and prophylaxis of frequently recurring ventricular fibrillation and hemodynamically unstable ventricular tachycardia in patients refractory to other therapy. Orally, for the treatment of life-threatening recurrent ventricular arrhythmias such as recurrent ventricular fibrillation and recurrent hemodynamically unstable ventricular tachycardia.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'BBI' 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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 5
PHE A  31
PHE A  88
LEU A 145
PRO A  45
1.67A22.94
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 6
PHE B 308
PHE B 347
GLU A 324
VAL A 325
1.67A16.61
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 6
PHE A 213
GLU A 210
PHE A 203
VAL A 294
1.53A20.89
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 6
PHE F 213
GLU F 210
PHE F 203
VAL F 294
1.73A20.49
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
ARG B 204
GLU B 457
GLU B 467
VAL B 463
1.70A18.98
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
HIS A 246
PHE A 230
LEU A 250
PRO A 293
1.59A22.54
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
HIS A 246
PHE A 230
LEU A 250
PRO A 293
1.64A16.39
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		3i6k HLA, A-2
(Homo
sapiens)		4 / 6
ARG E 170
GLU E 173
GLU E 166
VAL E 165
1.54A20.13
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
HIS B 246
PHE B 230
LEU B 250
PRO B 293
1.57A22.54
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
ARG A 204
GLU A 457
GLU A 467
VAL A 463
1.69A18.74
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
HIS B 246
PHE B 230
LEU B 250
PRO B 293
1.72A22.54
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.
5H4D_H_BBIH405_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 4
ARG C 183
GLU C  93
PHE C 185
VAL C 123
1.70A11.84
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
PHE A1024
GLU A1013
GLU A 762
VAL A 763
1.66A11.84
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
PHE B1024
ARG B1021
GLU B1013
GLU C1013
1.46A11.88
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6acg ACE2
(Homo
sapiens)		4 / 6
PHE D 314
GLU D 310
PHE D 369
VAL D 293
1.62A18.74
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
PHE A 103
PHE A 231
LEU A 132
PRO A 136
1.58A13.13
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
PHE B1024
PHE B1044
GLU B 762
VAL B 763
1.45A11.91
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6cs2 ACE2
(Homo
sapiens)		4 / 6
PHE D 314
GLU D 310
PHE D 369
VAL D 293
1.53A18.84
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
PHE A 779
PHE A 880
LEU A 859
PRO A1035
1.52A13.02
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6m1d ACE2
(Homo
sapiens)		4 / 5
PHE B 683
PHE B 643
LEU B 675
PRO B 677
1.57A16.85
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
PHE A1024
PHE A1044
GLU A 762
VAL A 763
1.75A12.14
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
PHE A 779
PHE A 880
LEU A 859
PRO A1035
1.73A12.78
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6nus NSP12
(SARSr-CoV)		4 / 6
ARG A 631
GLU A 658
GLU A 665
VAL A 560
1.73A14.36
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6vw1 ACE2
(Homo
sapiens)		4 / 6
ARG A 204
GLU A 457
GLU A 467
VAL A 463
1.72A18.98
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
ARG L 148
GLU L 149
GLU L 167
VAL L 152
1.71A20.96
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
ARG L 148
GLU L 149
GLU L 167
VAL L 152
1.71A20.96
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
ARG C 148
GLU C 149
GLU C 167
VAL C 152
1.71A20.96
None