Ligand ID: 1LD


Drugbank ID:
DB01099
(Flucytosine)


Indication:
For the treatment (in combination with amphotericin B) of serious infections caused by susceptible strains of Candida (septicemia, endocarditis and urinary system infections) and/or Cryptococcus (meningitis and pulmonary infections).

Get human targets for 1LD in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '1LD' 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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
LEU G 127
ILE G 124
GLU C  52
ASP C  43
SER H  13
1.63A18.05
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		2ajf SPIKE PROTEIN
(SARSr-CoV)		5 / 12
PHE E 325
ILE E 345
LEU E 374
ASP E 351
SER E 353
1.80A16.83
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
HIS B 163
LEU B 141
GLN D   6
HIS B 172
SER B 147
1.50A20.98
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
HIS B 163
LEU B 141
GLN D   6
HIS B 172
SER B 147
1.52A20.98
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE F 325
ILE F 345
LEU F 374
ASP F 351
SER F 353
1.68A19.21
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE F 325
ILE F 345
LEU F 374
ASP F 351
SER F 353
1.67A19.21
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE E 325
ILE E 345
LEU E 374
ASP E 351
SER E 353
1.68A18.29
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE E 325
ILE E 345
LEU E 374
ASP E 351
SER E 353
1.67A18.29
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE E 325
ILE E 345
LEU E 374
ASP E 351
SER E 353
1.71A18.10
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE E 325
ILE E 345
LEU E 374
ASP E 351
SER E 353
1.72A18.10
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
PHE A 523
GLN A 522
ILE A 446
LEU A 370
SER A 411
1.57A21.35
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE E 325
ILE E 345
LEU E 374
ASP E 351
SER E 353
1.75A20.47
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
PHE A 523
GLN A 522
ILE A 446
LEU A 370
SER A 411
1.56A21.35
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE E 325
ILE E 345
LEU E 374
ASP E 351
SER E 353
1.74A20.47
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
HIS A 171
LEU A 123
LEU A 311
ASP A 309
SER A 247
1.65A21.76
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ILE D 275
HIS D 264
HIS D 257
LEU D 253
ASP D 258
1.75A19.71
None
ZN  D 602 (-2.1A)
ZN  D 602 (-3.0A)
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		5e6j POLYUBIQUITIN-B
(synthetic
construct)		5 / 12
LEU C  43
GLN C  41
ILE C  30
LEU C  50
ASP C  52
1.76A11.27
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		5e6j POLYUBIQUITIN-B
(synthetic
construct)		5 / 12
LEU C  43
GLN C  41
ILE C  30
LEU C  50
ASP C  52
1.77A11.27
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B 920
ILE B 704
GLU B 801
LEU B 804
SER B 798
1.70A16.79
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B 920
ILE B 704
GLU B 801
LEU B 804
SER B 798
1.71A16.79
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		6ack ACE2
(Homo
sapiens)		5 / 12
HIS D 241
LEU D 278
ILE D 256
LEU D 444
TRP D 275
1.57A22.15
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		6ack ACE2
(Homo
sapiens)		5 / 12
HIS D 241
LEU D 278
ILE D 256
LEU D 444
TRP D 275
1.55A22.15
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		6cs2 ACE2
(Homo
sapiens)		5 / 12
HIS D 241
LEU D 278
ILE D 256
LEU D 444
TRP D 275
1.70A21.47
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		6cs2 ACE2
(Homo
sapiens)		5 / 12
HIS D 241
LEU D 278
ILE D 256
LEU D 444
TRP D 275
1.72A21.47
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 377
PHE B 325
ILE B 345
ASP B 351
SER B 353
1.47A16.17
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		6m1d ACE2
(Homo
sapiens)		5 / 12
HIS B 374
HIS B 378
GLU B 402
GLU B 406
SER B 409
1.72A18.27
None