Ligand ID: WJZ


Drugbank ID:
DB06823
(Tiopronin)


Indication:
Tiopronin is indicated for the prevention of kidney stone formation in patients with severe homozygous cystinuria consisting of a urinary cystine concentration greater than 500 mg/day, and who have failed treatment with non-pharmacological measures of increased fluid intake, decreased sodium and protein intake, and urine alkalinization.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'WJZ' 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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 7
HIS B  41
CYH B 145
GLY B 174
HIS B 163
1.57A19.59
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 8
VAL D 206
HIS D 227
HIS D 276
ASN D 219
1.46A20.62
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		4 / 8
VAL G 137
TRP G 187
ASP G 139
ASN G 145
1.51A23.74
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.52A19.59
CY6  A1145 (-3.8A)
CY6  A1145 (-1.9A)
None
CY6  A1145 (-3.8A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2bx3 MAIN PROTEINASE
(SARS-COV
Sin2774)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.65A19.59
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS B  41
CYH B 145
GLY B 174
HIS B 163
1.55A20.23
ENB  B1145 (-3.4A)
ENB  B1145 (-1.8A)
None
ENB  B1145 (-3.7A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.70A20.23
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 8
HIS A  46
HIS A  95
ASN A  38
HIS A  87
1.42A20.93
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 8
VAL F  97
HIS F  83
CYH F  77
ASN F  85
1.58A19.75
None
ZN  F 998 (-3.3A)
ZN  F 998 (-2.2A)
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 7
HIS D  48
CYH D  46
GLY D  50
ASN D  62
1.18A19.75
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
HIS A  70
HIS A  70
ASN A  69
HIS A  72
1.48A17.81
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 7
HIS A  70
GLY A  71
ASN A  69
HIS A  72
1.05A17.81
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.68A20.47
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.68A19.59
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.68A21.39
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.55A20.47
959  A 350 (-3.9A)
959  A 350 (-1.7A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.72A19.59
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.52A19.59
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.78A19.88
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.52A19.88
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS B  41
CYH B 145
GLY B 174
HIS B 163
1.53A20.43
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.52A19.58
ECC  H   5 ( 4.3A)
ECC  H   5 ( 1.7A)
None
ECC  H   5 ( 4.1A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		3snb 3C-LIKE PROTEINASE
PEPTIDE ALDEHYDE
INHIBITOR AC-DSFDQ-H
(SARSr-CoV)		4 / 8
ASP H   4
CYH A 145
ASN A 142
HIS A  41
1.76A7.14
None
ECC  H   5 ( 1.7A)
None
ECC  H   5 ( 4.9A)
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		3v3m 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.48A19.59
0EN  A 401 (-3.6A)
0EN  A 401 (-3.3A)
None
0EN  A 401 (-4.0A)
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.53A22.29
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.55A19.47
23H  A 401 (-3.7A)
23H  A 401 (-3.3A)
None
23H  A 401 (-4.1A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 8
VAL A 255
TRP A 303
HIS A 281
ASN A 267
1.67A21.96
PO4  A 404 (-3.9A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL B  36
HIS B  80
CYH B  22
ASN B  63
1.77A18.75
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.56A19.59
SDJ  A 401 ( 4.0A)
SDJ  A 401 (-1.9A)
None
SDJ  A 401 (-4.2A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
VAL D 263
HIS D 427
CYH D 279
HIS D 264
1.53A19.28
None
None
ZN  D 602 (-2.4A)
ZN  D 602 (-2.2A)
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 7
HIS A  83
CYH A  90
GLY A  88
ASN B 130
1.39A19.66
 ZN  A 201 (-3.3A)
ZN  A 201 (-2.2A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
VAL D 263
HIS D 283
CYH D 279
HIS D 264
1.56A19.43
None
None
ZN  D 602 (-2.3A)
ZN  D 602 (-2.1A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		5f22 NSP8
(SARSr-CoV)		4 / 8
VAL B 137
TRP B 187
ASP B 139
ASN B 145
1.65A19.52
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
HIS N  83
CYH N  90
GLY N  88
ASN B 130
1.55A20.60
 ZN  N 201 (-3.5A)
ZN  N 201 (-2.4A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
VAL C 136
HIS C  95
HIS P  -1
ASN C 104
1.25A18.66
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
HIS C 264
CYH C 279
GLY C 265
HIS C 257
1.56A18.66
 ZN  C 602 (-3.2A)
ZN  C 602 (-2.4A)
None
ZN  C 602 (-3.5A)
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		6jyt HELICASE
(SARSr-CoV)		4 / 8
VAL B 387
ASP B 383
CYH B 309
ASN B 361
1.49A17.20
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		6nus NSP8
(SARSr-CoV)		4 / 8
VAL B 132
TRP B 182
ASP B 134
ASN B 140
1.44A19.62
None