Myeloperoxidase
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ID: ALA2439
Type: SINGLE PROTEIN
Synonyms: 1.11.2.2 | 84 kDa myeloperoxidase | 89 kDa myeloperoxidase | MPO | MPO | Myeloperoxidase | Myeloperoxidase heavy chain | Myeloperoxidase light chain
Organism: Homo sapiens
Species Group: Homo sapiens
Protein Target Classification: Enzyme / Oxidoreductase
Description | Relationship | Accession |
---|---|---|
Myeloperoxidase | PROTEIN | P05164 |
Name:
4-[(4-amino-1-oxobutyl)amino]-2-[(3-trifluoromethylphenyl)amino]benzoic acid
Mol. Formula:
C18H18F3N3O3
M.W.:
381.35
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
104.45
HBA:
4
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
Name:
4-[(4-hydroxy-1-oxobutyl)amino]-2-[(3-trifluoromethylphenyl)amino]benzoic acid
Mol. Formula:
C18H17F3N2O4
M.W.:
382.34
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
98.66
HBA:
4
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
Name:
(2E)-4-[(3-carboxy-1-oxopropenyl)amino]-2-[(3-trifluoromethylphenyl)amino]benzoic acid
Mol. Formula:
C18H13F3N2O5
M.W.:
394.31
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
115.73
HBA:
4
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
Name:
4-benzamido-2-[(3-trifluoromethylphenyl)amino]benzoic acid
Mol. Formula:
C21H15F3N2O3
M.W.:
400.36
Type:
Small molecule
AlogP:
5.40
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
Name:
4-acetamido-2-[(3-trifluoromethylphenyl)amino]benzoic acid
Mol. Formula:
C16H13F3N2O3
M.W.:
338.29
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
Name:
4-amino-2-[(3-trifluoromethylphenyl)amino]benzoic acid
Mol. Formula:
C14H11F3N2O2
M.W.:
296.25
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
Name:
4-nitro-2-[(3-trifluoromethylphenyl)amino]benzoic acid
Mol. Formula:
C14H9F3N2O4
M.W.:
326.23
Type:
Small molecule
AlogP:
4.06
Polar Surface Area:
92.47
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
Name:
5-bromo-2-[(3-trifluoromethylphenyl)amino]benzoic acid
Mol. Formula:
C14H9BrF3NO2
M.W.:
360.13
Type:
Small molecule
AlogP:
4.91
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.82
Name:
5-chloro-2-[(3-trifluoromethylphenyl)amino]benzoic acid
Mol. Formula:
C14H9ClF3NO2
M.W.:
315.68
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
Name:
5-fluoro-2-[(3-trifluoromethylphenyl)amino]benzoic acid
Mol. Formula:
C14H9F4NO2
M.W.:
299.22
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83