e-Drug3D
1791
cas 64-85-7
CLASS
HORMONES
ADRENOCORTICAL STEROID
PRECURSOR OF ALDOSTERONE
SUBSTRATE OF ALDOSTERONE SYNTHASE (CYTOCHROME P450 CYP11B2)
ROUTE (list)
-
ATC code
H02AA03
PK parameters
TARGET ALDOSTERONE SYNTHASE
PDB
2AA7 (MINERALOCORTICOID RECEPTOR WITH BOUND DEOXYCORTICOSTERONE)
Ligand code = 1CA (link to the list of PDB complexes)
Download experimental 3D coordinates of 1CA with added hydrogens
Mineralocorticoid receptor UNIPROT P08235 NR3C2
Formula:
C21H30O3
Calculated chemical properties:
MW 330.45
NB_atoms 24
XLogP 3.70
PSA 54.086
NB_HD 1
NB_HA 3
fsp3 0.81
Lipinski(0=no;1=yes) 1
NB_atoms 24
XLogP 3.70
PSA 54.086
NB_HD 1
NB_HA 3
fsp3 0.81
Lipinski(0=no;1=yes) 1
FDA
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