ID: ALA2443
Type: SINGLE PROTEIN
Synonyms: 3.4.21.117 | hK7 | hSCCE | Kallikrein-7 | KLK7 | PRSS6 | SCCE | Serine protease 6 | Stratum corneum chymotryptic enzyme
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 |
---|---|---|
Kallikrein-7 | PROTEIN | P49862 |
Name:
N-(3-((3R,3aR,6R,6aS)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-ylamino)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide
Mol. Formula:
C27H26N2O5S
M.W.:
490.58
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
85.89
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.47
Name:
N-(1-(benzo[d][1,3]dioxol-5-yl)-3-((3R,3aR,6R,6aS)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-ylamino)-3-oxoprop-1-en-2-yl)benzamide
Mol. Formula:
C30H28N2O7
M.W.:
528.56
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
104.35
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
Name:
N-(3-((3R,3aR,6R,6aS)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-ylamino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)benzamide
Mol. Formula:
C28H27N3O5
M.W.:
485.54
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
98.78
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
Name:
N-(3-((3R,3aR,6R,6aS)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl)benzamide
Mol. Formula:
C27H26N2O6
M.W.:
474.51
Type:
Small molecule
AlogP:
2.92
Polar Surface Area:
99.03
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
Name:
2-acetamido-N-((3R,3aR,6R,6aS)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-yl)-3-(thiophen-2-yl)acrylamide
Mol. Formula:
C22H24N2O5S
M.W.:
428.51
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
85.89
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66
Name:
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)acrylamide
Mol. Formula:
C17H14N2O4
M.W.:
310.31
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
102.58
HBA:
5
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
Name:
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)acrylamide
Mol. Formula:
C18H16N2O4
M.W.:
324.34
Type:
Small molecule
AlogP:
2.96
Polar Surface Area:
91.58
HBA:
5
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
Name:
N-(3-((3S,3aR,6R)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-ylamino)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide
Mol. Formula:
C27H26N2O5S
M.W.:
490.58
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
85.89
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.47
Name:
(2S)-2-((3R,6R,6aR)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-yl)1-tert-butyl pyrrolidine-1,2-dicarboxylate
Mol. Formula:
C23H31NO7
M.W.:
433.50
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
83.53
HBA:
7
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
Name:
(R)-((3R,3aR,6R,6aR)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-yl)2-(tert-butoxycarbonylamino)-3-methylbutanoate
Mol. Formula:
C23H33NO7
M.W.:
435.52
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
92.32
HBA:
7
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66