e-Drug3D
1685
cas 95153-31-4
CLASS
CARDIOVASCULAR
ANTIHYPERTENSIVE
ACE INHIBITOR
ROUTE (list)
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ATC code
C10BX15
C10BX12
C10BX11
C09AA04
C09BB04
C09BX02
C09BA04
C09BX01
C09BX04
C09BX06
C10BX21
C10BX14
C10BX13
PK parameters
F 25 PERCENT
Tmax 5 HOUR
VD 49.4 LITER (65 KILOGRAM)
Cl 6.6 LITER / HOUR (65 KILOGRAM)
PPB 15 PERCENT
t1/2 29 HOUR
TARGET ANGIOTENSIN-CONVERTING ENZYME
PDB
2X94 (CRYSTAL STRUCTURE OF ANCE-PERINDOPRILAT COMPLEX)
Ligand code = X94 (link to the list of PDB complexes)
Download experimental 3D coordinates of X94 with added hydrogens
Angiotensin-converting enzyme UNIPROT P12821 ACE
Formula:
C17H28N2O5
Calculated chemical properties:
MW 338.40
NB_atoms 24
XLogP -1.21
PSA 93.411
NB_HD 1
NB_HA 7
fsp3 0.82
Lipinski(0=no;1=yes) 1
NB_atoms 24
XLogP -1.21
PSA 93.411
NB_HD 1
NB_HA 7
fsp3 0.82
Lipinski(0=no;1=yes) 1
FDA
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