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-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.
5NFP_A_8W5A804_2
(GLUCOCORTICOID
RECEPTOR)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 4
LEU C  64
MET C  57
ILE C  73
LEU G 100
1.40A16.73
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)		2c3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 179
GLN A  83
MET A 162
ARG A  88
PHE A 181
1.67A19.57
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)		3bgf F26G19 FAB
(Mus
musculus)		4 / 4
LEU H 100
MET H  34
ILE L  44
LEU H   4
1.64A21.25
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)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 4
LEU A 482
MET A 197
ILE A 187
LEU A 181
1.76A19.65
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)		6nur NSP12
(SARSr-CoV)		4 / 4
LEU A 240
MET A 124
ILE A 466
LEU A 245
1.72A14.67
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)		6nur NSP7
(SARSr-CoV)		4 / 4
LEU C  56
MET C  62
ILE C  39
LEU C  17
1.68A16.35
None