ID: ALA4071
Type: SINGLE PROTEIN
Synonyms: 3.4.21.20 | Cathepsin G | Cathepsin G, C-terminal truncated form | CTSG
Organism: Homo sapiens
Species Group: Homo sapiens
Protein Target Classification: Enzyme / Protease / Serine protease / Serine protease PA clan / Serine protease S1A subfamily
Description | Relationship | Accession |
---|---|---|
Cathepsin G | PROTEIN | P08311 |
Name:
3-({1-[2-(3-Methoxycarbonyl-propionylamino)-3-methyl-butyryl]-pyrrolidine-2-carbonyl}-amino)-2-oxo-4-phenyl-butyric acid methyl ester
Mol. Formula:
C26H35N3O8
M.W.:
517.58
Type:
Small molecule
AlogP:
0.54
Polar Surface Area:
148.18
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.30
Name:
N-{1-[2-(1-Benzyl-3,3,3-trifluoro-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-succinamic acid methyl ester
Mol. Formula:
C25H32F3N3O6
M.W.:
527.54
Type:
Small molecule
AlogP:
1.93
Polar Surface Area:
121.88
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.42
Name:
{(S)-1-[(S)-2-(1-Benzyl-3,3,3-trifluoro-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
Mol. Formula:
C25H34F3N3O5
M.W.:
513.56
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
104.81
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.55
Name:
(1-Methyl-2-naphthalen-2-yl-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid
Mol. Formula:
C23H19O4P
M.W.:
390.38
Type:
Small molecule
AlogP:
5.27
Polar Surface Area:
74.60
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
Name:
(2-Naphthalen-2-yl-2-oxo-1-phenyl-ethyl)-phosphonic acid
Mol. Formula:
C18H15O4P
M.W.:
326.29
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
74.60
HBA:
2
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
Name:
(1,2-Di-naphthalen-2-yl-2-oxo-ethyl)-phosphonic acid
Mol. Formula:
C22H17O4P
M.W.:
376.35
Type:
Small molecule
AlogP:
5.09
Polar Surface Area:
74.60
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
Name:
(1,2-Di-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid
Mol. Formula:
C22H17O4P
M.W.:
376.35
Type:
Small molecule
AlogP:
5.09
Polar Surface Area:
74.60
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
Name:
[2-(3-{[(2,2-Diphenyl-ethylcarbamoyl)-methyl]-methyl-carbamoyl}-naphthalen-2-yl)-1-naphthalen-1-yl-2-oxo-ethyl]-phosphonic acid
Mol. Formula:
C40H35N2O6P
M.W.:
670.70
Type:
Small molecule
AlogP:
7.12
Polar Surface Area:
124.01
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.10
Name:
{2-[3-(Methyl-{[1-(naphthalene-2-carbonyl)-piperidin-4-ylcarbamoyl]-methyl}-carbamoyl)-naphthalen-2-yl]-1-naphthalen-1-yl-2-oxo-ethyl}-phosphonic acid
Mol. Formula:
C42H38N3O7P
M.W.:
727.75
Type:
Small molecule
AlogP:
6.74
Polar Surface Area:
144.32
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
Name:
(2-{3-[(3-Benzoylamino-propyl)-methyl-carbamoyl]-naphthalen-2-yl}-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid
Mol. Formula:
C34H31N2O6P
M.W.:
594.60
Type:
Small molecule
AlogP:
5.99
Polar Surface Area:
124.01
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.10