Ligand ID: 9UQ


Drugbank ID:
DB00357
(Aminoglutethimide)


Indication:
For the suppression of adrenal function in selected patients with Cushing's syndrome, malignant neoplasm of the female breast, and carcinoma in situ of the breast.

Get human targets for 9UQ in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '9UQ' 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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASN F 473
PRO F 462
GLU B  23
TYR F 442
1.79A18.38
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
PRO A 107
GLU A  66
PHE A  68
TRP A 123
1.77A23.70
GOL  A 301 ( 4.7A)
None
GOL  A 301 (-4.7A)
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 8
PRO D 107
GLU D  66
PHE D  68
TRP D 123
1.69A23.87
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASN D  52
PRO D  50
GLU D  44
PHE D  43
1.72A20.00
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASN A 133
PRO A 132
GLU A 290
TYR A 161
1.78A16.67
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 8
ASN S 473
PRO S 462
PHE S 460
TYR A 442
1.73A19.69
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		3scj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASN E 473
PRO E 462
GLU A  23
TYR E 442
1.71A18.48
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
PRO B 223
GLU A 502
PHE B 193
TYR B 197
1.67A8.80
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASN B 178
GLU B  93
PHE B 179
TYR B 200
1.55A8.08
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		6cs2 ACE2
SPIKE
GLYCOPROTEIN,FIBRITI
N
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASN B 473
PRO B 462
GLU D  23
TYR B 442
1.72A8.70
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		6nur NSP12
(SARSr-CoV)		4 / 8
ASN A 781
GLU A 796
TRP A 617
TYR A 619
1.54A8.74
None