Ligand ID: 0U9


Drugbank ID:
DB01128
(Bicalutamide)


Indication:
For treatment (together with surgery or LHRH analogue) of advanced prostatic cancer.

Get human targets for 0U9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '0U9' 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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR A  54
LEU A  57
THR A  25
GLU A  47
THR A  45
1.42A21.46
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 930
ALA B 926
THR B 923
ALA A 926
THR A 923
1.48A13.79
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU K  30
ALA G  26
THR G  23
ALA K  26
THR K  23
1.36A7.46
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 930
ALA A 926
THR A 923
ALA C 926
THR C 923
1.35A5.92
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
TYR A  54
LEU A  57
THR A  24
GLU A  47
THR A  45
1.54A21.46
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 503
ARG A 460
THR A 449
GLU A 457
THR A 453
1.42A23.36
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR A  54
LEU A  57
THR A  25
GLU A  47
THR A  45
1.50A21.68
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		3i6k HLA, A-2
MEMBRANE
GLYCOPROTEIN PEPTIDE
(Homo
sapiens;
SARS-COV
TJF)		5 / 12
LEU A 160
ARG A 157
ALA C   2
GLU A 154
ALA A 158
1.47A23.15
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR A  54
LEU A  57
THR A  25
GLU A  47
THR A  45
1.59A21.46
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR B  54
LEU B  57
THR B  25
GLU B  47
THR B  45
1.44A21.68
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		3sci ACE2
(Homo
sapiens)		5 / 12
LEU A 503
ARG A 460
THR A 449
GLU A 457
THR A 453
1.44A22.52
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 503
ARG A 460
THR A 449
GLU A 457
THR A 453
1.50A22.20
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 12
PHE A 305
ARG A 167
ALA A 120
GLU A 168
THR A 169
1.55A21.48
None
DMS  B 906 (-3.4A)
None
DMS  A 903 (-3.6A)
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE A  89
ALA A 237
THR A 247
ALA A 250
THR A  71
1.60A19.08
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
TYR C 622
LEU C 615
THR C 604
ALA C 609
THR C 608
1.61A16.25
None
None
NAG  C1301 (-3.7A)
None
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		5 / 12
LEU c  25
ALA A 926
THR A 925
GLU A 918
THR A 921
1.56A8.44
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 930
ALA B 926
THR B 923
ALA C 926
THR C 923
1.33A12.41
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A1016
PHE A 870
VAL A 767
ALA A 858
THR A 856
1.49A16.36
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
PHE B  89
ALA B 237
THR B 247
ALA B 250
THR B  71
1.56A17.05
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B1016
PHE B 870
VAL B 767
ALA B 858
THR B 856
1.52A16.67
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		6jyt HELICASE
(SARSr-CoV)		5 / 12
LEU A 130
ALA A 108
GLU A 136
ALA A 134
THR A 137
1.24A20.22
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU C 244
PHE C 327
VAL C 324
ALA C 406
THR C 408
1.42A21.69
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		6m1d ACE2
(Homo
sapiens)		5 / 12
LEU B 503
ARG B 460
THR B 449
GLU B 457
THR B 453
1.53A21.22
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		6nus NSP12
NSP8
(SARSr-CoV)		5 / 12
VAL A 398
ARG B 190
ALA A 382
ALA B 125
THR B 124
1.50A20.08
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		6vw1 ACE2
(Homo
sapiens)		5 / 12
LEU B 503
ARG B 460
THR B 449
GLU B 457
THR B 453
1.46A22.03
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
LEU L 135
PHE L 118
VAL H 181
ALA H 137
THR H 135
1.74A18.50
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
PHE L 139
LEU L 135
VAL H 181
ALA H 137
THR H 135
1.71A18.50
None