Ligand ID: DM1


Drugbank ID:
DB00694
(Daunorubicin)


Indication:
For remission induction in acute nonlymphocytic leukemia (myelogenous, monocytic, erythroid) of adults and for remission induction in acute lymphocytic leukemia of children and adults.

Get human targets for DM1 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'DM1' 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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		2kqv NSP3
(SARSr-CoV)		5 / 10
MET A  14
ALA A  18
VAL A  56
PHE A  59
VAL A 111
1.68A23.12
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ALA B 311
PHE B 308
VAL B 293
TRP B 302
ASP B 303
1.64A14.02
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ALA D 234
VAL D 233
ALA D 266
PHE D 223
VAL B 204
1.57A15.61
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ALA B 311
PHE B 308
VAL B 293
TRP B 302
ASP B 303
1.63A11.44
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		5x5f S PROTEIN
(MERS-CoV)		5 / 10
ALA C 597
VAL C 374
PHE C 630
VAL C 381
ASP C 644
1.80A7.78
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ALA C  91
VAL C  98
ALA C 233
TRP C 101
VAL C 196
1.63A7.48
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		6m0j ACE2
(Homo
sapiens)		5 / 10
ALA A 311
PHE A 308
VAL A 293
TRP A 302
ASP A 303
1.67A12.11
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		6vw1 ACE2
(Homo
sapiens)		5 / 10
ALA B 311
PHE B 308
VAL B 293
TRP B 302
ASP B 303
1.65A13.15
None