Ligand ID: FIT


Drugbank ID:
DB01216
(Finasteride)


Indication:
For the treatment of symptomatic benign prostatic hyperplasia (BPH) in men with an enlarged prostate to: Improve symptoms, reduce the risk of acute urinary retention, reduce the risk of the need for surgery including transurethral resection of the prostate. Also used for the stimulation of regrowth of hair in men with mild to moderate androgenetic alopecia (male pattern alopecia, hereditary alopecia, common male baldness).

Get human targets for FIT in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'FIT'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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.
3G1R_B_FITB327_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
GLU B 457
TYR B 180
TRP B 473
MET B 474
TRP B 459
1.76A20.76
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.
3G1R_B_FITB327_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		3sci ACE2
(Homo
sapiens)		5 / 11
GLU B 457
TYR B 180
TRP B 473
MET B 474
TRP B 459
1.79A21.05
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.
3G1R_B_FITB327_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
GLU B 457
TYR B 180
TRP B 473
MET B 474
TRP B 459
1.78A20.39
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.
3G1R_B_FITB327_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
ILE C 401
TYR C 177
GLU C 394
TRP C 135
TRP C  56
1.38A19.46
None