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-COV-2 / COVID-19 STRUCTURES

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)		6m17 ACE2
RECEPTOR BINDING
DOMAIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ASN E 439
PRO E 507
PHE E 497
TYR B  41
1.71A18.18
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASN A 781
GLU A 796
TRP A 617
TYR A 619
1.50A9.03
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		6vxs NSP3
(SARS-CoV-2)		4 / 8
ASN B   4
PRO B  32
GLU B  26
TYR B  17
1.80A
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)		6w02 NSP3
(SARS-CoV-2)		4 / 8
ASN B   4
PRO B  32
GLU B  26
TYR B  17
1.75A15.93
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)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ASN B   4
PRO B  32
GLU B  26
TYR B  17
1.75A
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)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASN D   4
PRO D  32
GLU D  26
TYR D  17
1.79A
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)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASN A   4
PRO A  32
GLU A  26
TYR A  17
1.79A
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)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ASN D   4
PRO D  32
GLU D  26
TYR D  17
1.79A
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)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ASN C   4
PRO C  32
GLU C  26
TYR C  17
1.77A
None
None
None
EDO  C 203 ( 4.2A)
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)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ASN D   4
PRO D  32
GLU D  26
TYR D  17
1.79A
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)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ASN C   4
PRO C  32
GLU C  26
TYR C  17
1.74A
None
None
None
EDO  C 204 ( 4.5A)
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)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ASN B   4
PRO B  32
GLU B  26
TYR B  17
1.78A
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)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ASN C   4
PRO C  32
GLU C  26
TYR C  17
1.79A
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)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ASN A   4
PRO A  32
GLU A  26
TYR A  17
1.79A
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)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASN A 781
GLU A 796
TRP A 617
TYR A 619
1.61A
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)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASN A 781
GLU A 796
TRP A 617
TYR A 619
1.53A
None