Ligand ID: 8W5


Drugbank ID:
DB01222
(Budesonide)


Indication:
The oral capsule is used for the treatment of mild to moderate active Crohn's disease. The oral tablet is used for induction of remission in patients with active, mild to moderate ulcerative colitis. The oral inhalation formulation is used for the treatment of asthma, non-infectious rhinitis (including hay fever and other allergies), and for treatment and prevention of nasal polyposis.

Get human targets for 8W5 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '8W5' 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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 4
LEU A 286
MET A 276
ILE A 200
LEU A 208
1.76A19.29
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 4
LEU D 286
MET B 276
ILE D 281
LEU B 286
1.54A19.18
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 4
LEU C 286
MET A 276
ILE C 281
LEU A 286
1.49A19.18
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6m71 NSP7
NSP8
(SARS-CoV-2)		4 / 4
LEU C  59
MET C  52
ILE C  68
LEU D  95
1.42A16.06
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6m71 NSP7
(SARS-CoV-2)		4 / 4
LEU C  56
MET C  62
ILE C  39
LEU C  17
1.56A16.06
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6wiq NSP7
(SARS-CoV-2)		4 / 4
LEU A  56
MET A  62
ILE A  39
LEU A  17
1.58A16.03
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6wiq NSP7
NSP8
(SARS-CoV-2)		4 / 4
LEU A  59
MET A  52
ILE A  68
LEU B  95
1.29A16.03
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6wqd NSP7
(SARS-CoV-2)		4 / 4
LEU C  56
MET C  62
ILE C  39
LEU C  17
1.57A16.03
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6wqd NSP7
(SARS-CoV-2)		4 / 4
LEU A  56
MET A  62
ILE A  39
LEU A  17
1.55A16.03
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 4
LEU B 286
MET A 276
ILE B 281
LEU A 286
1.63A19.18
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 4
LEU A  56
MET A  62
ILE A  39
LEU A  17
1.53A14.18
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 4
LEU C  56
MET C  62
ILE C  39
LEU C  17
1.54A14.18
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.
5NFP_A_8W5A804_1
(GLUCOCORTICOID
RECEPTOR)		7btf NSP12
(SARS-CoV-2)		5 / 12
MET A 629
ASN A 628
GLY A 679
CYH A 697
THR A 462
1.77A14.67
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		7btf NSP12
(SARS-CoV-2)		4 / 4
LEU A 240
MET A 124
ILE A 466
LEU A 245
1.75A14.67
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		7btf NSP7
(SARS-CoV-2)		4 / 4
LEU C  56
MET C  62
ILE C  39
LEU C  17
1.44A16.06
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		7bv1 NSP7
(SARS-CoV-2)		4 / 4
LEU C  56
MET C  62
ILE C  39
LEU C  17
1.58A15.36
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		4 / 4
LEU A 240
MET A 124
ILE A 466
LEU A 245
1.73A14.63
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		7bv2 NSP7
(SARS-CoV-2)		4 / 4
LEU C  56
MET C  62
ILE C  39
LEU C  17
1.56A15.36
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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		7bv2 NSP12
(SARS-CoV-2)		4 / 4
LEU A 240
MET A 124
ILE A 466
LEU A 245
1.69A14.63
None