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Alpha-chymotrypsin
Target Relations
ALA ID | Relationship | Pref Name | Target Type |
---|
Target Components
Description | Relationship | Accession |
Chymotrypsinogen A | PROTEIN | P00766 |
Associated Recombinant Proteins
Associated Active Ligands
ALA13236Name:
2-Amino-N-(4-nitro-phenyl)-3-phenyl-propionamide
Mol. Formula:
C15H15N3O3
M.W.:
285.30
Type:
Small molecule
AlogP:
2.10
Polar Surface Area:
98.26
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA13058Name:
N-(1-Benzyl-3-methanesulfonyl-allyl)-acetamide
Mol. Formula:
C13H17NO3S
M.W.:
267.35
Type:
Small molecule
AlogP:
1.29
Polar Surface Area:
63.24
HBA:
3
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA13056Name:
N-(2-Phenyl-1-thiocarbamoyl-ethyl)-acetamide
Mol. Formula:
C11H14N2OS
M.W.:
222.31
Type:
Small molecule
AlogP:
1.64
Polar Surface Area:
52.95
HBA:
2
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA13246Name:
N-(Benzyl-cyano-methyl)-acetamide
Mol. Formula:
C11H12N2O
M.W.:
188.23
Type:
Small molecule
AlogP:
1.26
Polar Surface Area:
52.89
HBA:
2
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.78
DETAILS
CLOSE
ALA13357Name:
6-Chloromethyl-2-oxo-2H-chromene-3-carboxylic acid phenyl ester
Mol. Formula:
C17H11ClO4
M.W.:
314.72
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
56.51
HBA:
4
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA280444Name:
Benzenesulfonic acid 1-methyl-2-oxo-propyl ester
Mol. Formula:
C10H12O4S
M.W.:
228.27
Type:
Small molecule
AlogP:
1.37
Polar Surface Area:
60.44
HBA:
4
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA14566Name:
Toluene-4-sulfonic acid 1-benzyl-2-oxo-propyl ester
Mol. Formula:
C17H18O4S
M.W.:
318.39
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
60.44
HBA:
4
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA279866Name:
Methanesulfonic acid 1-benzyl-2-oxo-propyl ester
Mol. Formula:
C11H14O4S
M.W.:
242.30
Type:
Small molecule
AlogP:
1.16
Polar Surface Area:
60.44
HBA:
4
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA16873Name:
6-(2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-1-methyl-quinolinium
Mol. Formula:
C27H26N3O3+
M.W.:
440.52
Type:
Small molecule
AlogP:
4.14
Polar Surface Area:
71.31
HBA:
3
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA31523Name:
Borinic acid derivative
Mol. Formula:
C10H15BO
M.W.:
162.04
DETAILS
CLOSE