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Thioredoxin glutathione reductase
Name And Classification
ID: ALA6110
Type: SINGLE PROTEIN
Synonyms: 1.6.4.5 | TGR | Thioredoxin glutathione reductase
Organism: Schistosoma mansoni
Species Group: Schistosoma mansoni
Protein Target Classification: Enzyme / Oxidoreductase
Target Relations
ALA ID | Relationship | Pref Name | Target Type |
---|
Target Components
Description | Relationship | Accession |
Thioredoxin glutathione reductase | PROTEIN | Q962Y6 |
Associated Recombinant Proteins
Associated Active Ligands
ALA448328Name:
SID26725084
Mol. Formula:
C14H18N2O2
M.W.:
246.31
Type:
Small molecule
AlogP:
0.54
Polar Surface Area:
55.92
HBA:
2
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA520156Name:
SID29215362
Mol. Formula:
C31H46O2
M.W.:
450.71
Type:
Small molecule
AlogP:
9.16
Polar Surface Area:
34.14
HBA:
2
HBD:
0
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA570345Name:
bis(thiophen-2-ylmethanone)-furoxan
Mol. Formula:
C12H6N2O4S2
M.W.:
306.32
Type:
Small molecule
AlogP:
1.89
Polar Surface Area:
87.11
HBA:
7
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA571936Name:
3-cyano-4-(3-hydroxyphenyl)-1,2,5-oxadiazole 2-oxide
Mol. Formula:
C9H5N3O3
M.W.:
203.16
Type:
Small molecule
AlogP:
0.55
Polar Surface Area:
96.99
HBA:
5
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA576265Name:
4-thienoyl-3-cyanofuroxan
Mol. Formula:
C8H3N3O3S
M.W.:
221.20
Type:
Small molecule
AlogP:
0.47
Polar Surface Area:
93.83
HBA:
6
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1200589Name:
SID56463238
Mol. Formula:
C18H24ClN9O4S3
M.W.:
562.10
Type:
Small molecule
AlogP:
-0.65
Polar Surface Area:
172.46
HBA:
13
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA1200941Name:
SID56320769
Mol. Formula:
C12H18Cl2N4OS
M.W.:
337.28
Type:
Small molecule
AlogP:
0.61
Polar Surface Area:
75.91
HBA:
5
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA1201057Name:
SID49732002
Mol. Formula:
C16H25N2NaO5S
M.W.:
380.44
Type:
Small molecule
AlogP:
1.43
Polar Surface Area:
129.72
HBA:
5
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1256360Name:
SID56463178
Mol. Formula:
C11H18ClNO3
M.W.:
247.72
Type:
Small molecule
AlogP:
1.13
Polar Surface Area:
72.72
HBA:
4
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA1256995Name:
SID56322742
Mol. Formula:
C23H26ClF3N2OS
M.W.:
470.99
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
26.71
HBA:
4
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE