ID: ALA2391
Type: SINGLE PROTEIN
Synonyms: 1.1.1.146 | 1.1.1.201 | 11-beta-HSD1 | 11-beta-hydroxysteroid dehydrogenase 1 | 11-DH | 7-oxosteroid reductase | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Hsd11 | Hsd11b1
Organism: Rattus norvegicus
Species Group: Rattus norvegicus
Protein Target Classification: Enzyme / Oxidoreductase
Description | Relationship | Accession |
---|---|---|
11-beta-hydroxysteroid dehydrogenase 1 | PROTEIN | P16232 |
Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid
Mol. Formula:
C30H46O4
M.W.:
470.69
Type:
Small molecule
AlogP:
6.41
Polar Surface Area:
74.60
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.46
Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid (2-oxo-tetrahydro-furan-3-yl)-amide
Mol. Formula:
C34H51NO5
M.W.:
553.78
Type:
Small molecule
AlogP:
5.76
Polar Surface Area:
92.70
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
Mol. Formula:
C36H58N2O4
M.W.:
582.87
Type:
Small molecule
AlogP:
5.78
Polar Surface Area:
78.87
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid morpholin-4-ylamide
Mol. Formula:
C34H54N2O4
M.W.:
554.82
Type:
Small molecule
AlogP:
5.69
Polar Surface Area:
78.87
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid cyclopropylamide
Mol. Formula:
C33H51NO3
M.W.:
509.78
Type:
Small molecule
AlogP:
6.61
Polar Surface Area:
66.40
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.44
Name:
2-[((2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carbonyl)-amino]-propionic acid (S)-ethyl ester
Mol. Formula:
C35H55NO5
M.W.:
569.83
Type:
Small molecule
AlogP:
6.40
Polar Surface Area:
92.70
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid (5-hydroxy-pentyl)-amide
Mol. Formula:
C35H57NO4
M.W.:
555.84
Type:
Small molecule
AlogP:
6.61
Polar Surface Area:
86.63
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid (2-hydroxy-ethyl)-amide
Mol. Formula:
C32H51NO4
M.W.:
513.76
Type:
Small molecule
AlogP:
5.44
Polar Surface Area:
86.63
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
Name:
4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]-benzoic Acid
Mol. Formula:
C25H31N3O3
M.W.:
421.54
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
84.22
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
Name:
1,5-bis(3-methoxy-4-(tetrahydro-2H-pyran-2-yloxy)phenyl)penta-1,4-dien-3-one
Mol. Formula:
C29H34O7
M.W.:
494.58
Type:
Small molecule
AlogP:
5.81
Polar Surface Area:
72.45
HBA:
7
HBD:
0
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.39