Ligand ID: 6EL


Drugbank ID:
DB01041
(Thalidomide)


Indication:
For the acute treatment of the cutaneous manifestations of moderate to severe erythema nodosum leprosum (ENL). Also for use as maintenance therapy for prevention and suppression of the cutaneous manifestations of ENL recurrence.

Get human targets for 6EL in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '6EL' 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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		4 / 8
TRP B  95
PHE B  70
HIS A 188
THR A 190
1.09A20.18
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.
5YJ1_K_6ELK501_0
(PROTEIN CEREBLON)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
TRP B  94
PHE B  96
THR C 201
TRP B 107
1.65A18.95
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
TRP B  94
PHE B  96
THR C 201
TRP B 107
1.69A18.95
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
HIS E  14
TRP E  58
PHE E  55
THR D 281
1.77A14.03
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.
5YJ1_K_6ELK501_0
(PROTEIN CEREBLON)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
HIS A  69
TRP A 124
PHE A 156
THR A  93
1.61A16.30
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
HIS A  69
TRP A 124
PHE A 156
THR A  93
1.80A16.30
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.
5YJ1_K_6ELK501_0
(PROTEIN CEREBLON)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
HIS A  69
TRP A 124
PHE A 156
THR A  93
1.59A16.30
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		4 / 8
TRP E  95
PHE E  70
HIS D 188
THR D 190
0.98A20.18
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.
5YJ1_K_6ELK501_0
(PROTEIN CEREBLON)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
HIS A  69
TRP A 124
PHE A 156
THR A  93
1.61A15.36
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
HIS A 113
TRP B  60
PHE B  56
THR A 134
1.72A13.55
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.
5YJ1_K_6ELK501_0
(PROTEIN CEREBLON)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 7
HIS A 113
TRP B  60
PHE B  56
THR A 134
1.70A13.55
None