KEGG   DRUG: D03760Help
Entry
D03760                      Drug                                   

Name
Pentopril (USAN/INN)
Formula
C18H23NO5
Exact mass
333.1576
Mol weight
333.3789
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Enzyme inhibitor [angiotensin-converting]
Target
angiotensin-converting enzyme (ACE) inhibitor [HSA:1636] [KO:K01283]
  Pathway
hsa04614  Renin-angiotensin system  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   angiotensin-converting enzyme (ACE) [HSA:1636] [KO:K01283]
    Pentopril
     D03760  Pentopril (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
82924-03-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   N1y N    37.7300  -19.2500
            2   C8y C    38.9900  -19.8100
            3   C1y C    37.8700  -17.8500
            4   C5a C    36.4700  -19.9500
            5   C8y C    39.9000  -18.8300
            6   C1x C    39.2000  -17.5700
            7   C6a C    37.8700  -16.4500
            8   C1c C    35.2800  -19.2500
            9   O5a O    36.4700  -21.3500
            10  O6a O    39.0600  -15.7500
            11  O6a O    36.6100  -15.8200
            12  C1b C    34.0900  -19.9500
            13  C1a C    35.2800  -17.8500
            14  C1c C    32.8300  -19.2500
            15  C7a C    31.6400  -20.0200
            16  C1a C    32.8300  -17.9200
            17  C8x C    39.4021  -21.1480
            18  C8x C    40.7669  -21.4600
            19  C8x C    41.6769  -20.4800
            20  C8x C    41.2648  -19.1420
            21  O7a O    30.3936  -19.3824
            22  O6a O    31.6410  -21.4182
            23  C1b C    29.2051  -20.1514
            24  C1a C    27.9504  -19.5093
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     4   9 2
            9     7  10 1
            10    7  11 2
            11    8  12 1
            12    8  13 1 #Up
            13   12  14 1
            14   14  15 1
            15   14  16 1 #Down
            16    5   6 1
            17    2  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21    5  20 2
            22   15  21 1
            23   15  22 2
            24   21  23 1
            25   23  24 1

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