Ligand ID: CA4


Drugbank ID:
DB04839
(Cyproterone acetate)


Indication:
For the palliative treatment of patients with advanced prostatic carcinoma.

Get human targets for CA4 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CA4' 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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
GLN A 127
VAL B 125
ARG A 298
ALA A 116
PHE A 140
1.40A20.99
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 127
VAL B1125
ARG A 298
ALA A 116
PHE A 140
1.39A21.41
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
GLN A 127
VAL B 125
ARG A 298
ALA A 116
PHE A 140
1.41A21.34
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
LEU D 225
ASN D 222
LEU D 257
MET D 243
ALA D 232
1.39A21.29
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.
2OZ7_A_CA4A1_2
(ANDROGEN RECEPTOR)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 6
LEU C  18
TRP C  34
MET H  75
LEU C  33
1.70A17.72
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 127
VAL A 125
ARG B 298
ALA B 116
PHE B 140
1.28A21.45
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
LEU C  44
ASN C  41
LEU C  76
MET C  62
ALA C  51
1.41A22.09
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
LEU A  72
ASN A  73
LEU A  75
GLY A  76
VAL A 121
1.10A21.11
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
GLN A 127
VAL B 125
ARG A 298
ALA A 116
PHE A 140
1.36A20.92
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU A  72
ASN A  73
LEU A  75
GLY A  76
VAL A 121
1.12A21.33
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU C  72
ASN C  73
LEU C  75
GLY C  76
VAL C 121
1.06A21.21
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		2w2g NSP3
(SARSr)		5 / 12
LEU A 596
ASN A 597
LEU A 599
VAL A 604
ARG A 579
1.46A20.00
None
SO4  A1653 (-4.4A)
None
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		2w2g NSP3
(SARSr)		5 / 12
LEU B 596
ASN B 597
LEU B 599
VAL B 604
ARG B 579
1.45A20.00
None
SO4  B1653 (-4.1A)
None
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 127
VAL B 125
ARG A 298
ALA A 116
PHE A 140
1.41A21.67
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
LEU A 374
ASN A 375
LEU A 377
VAL A 382
ALA A 350
1.46A19.08
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASN B 508
LEU B 120
VAL B 184
ALA B 501
LEU B 503
1.45A17.90
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		3scj ACE2
(Homo
sapiens)		5 / 12
ASN A 508
LEU A 120
VAL A 184
ALA A 501
LEU A 503
1.40A17.16
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASN A 508
LEU A 120
VAL A 184
ALA A 501
LEU A 503
1.35A17.05
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		3snd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 127
VAL B 125
ARG A 298
ALA A 116
PHE A 140
1.34A21.41
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 127
VAL A 125
ARG B 298
ALA B 116
PHE B 140
1.38A21.45
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 532
GLY C 531
ARG C 553
ALA C 506
LEU C 504
1.32A11.65
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASN C 528
LEU C 532
GLY C 531
VAL A 958
ARG C 553
1.46A11.63
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASN B 528
LEU B 532
GLY B 531
VAL C 958
ARG B 553
1.37A11.72
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.
2OZ7_A_CA4A1_2
(ANDROGEN RECEPTOR)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
LEU A 238
TRP A 416
MET A 410
LEU A 244
1.71A16.16
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU A  43
LEU A  46
GLY A  47
VAL A 232
PHE A 433
1.37A16.16
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
LEU L  73
VAL L  58
ARG L  61
ALA L  34
LEU L  33
1.77A20.39
None