KEGG   DRUG: D08529Help
Entry
D08529                      Drug                                   

Name
Spirapril (INN)
Formula
C22H30N2O5S2
Exact mass
466.1596
Mol weight
466.614
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
ACE-inhibitor;
Antihypertensive
Remark
ATC code: 
Drug group: 
Target
angiotensin-converting enzyme (ACE) inhibitor [HSA:1636] [KO:K01283]
  Pathway
hsa04614  Renin-angiotensin system  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
   C09A ACE INHIBITORS, PLAIN
    C09AA ACE inhibitors, plain
     C09AA11 Spirapril
      D08529  Spirapril (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   angiotensin-converting enzyme (ACE)
    Spirapril
     D08529  Spirapril (INN)
BRITE hierarchy
Other DBs
CAS: 
83647-97-6
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   N1y N    27.4400  -18.6200
            2   C5a C    26.2500  -19.3200
            3   C1c C    25.0600  -18.6200
            4   O5a O    26.2500  -20.7200
            5   N1b N    23.8000  -19.3200
            6   C1a C    25.0600  -17.2200
            7   C1c C    22.6100  -18.6200
            8   C7a C    22.6100  -17.2200
            9   C1b C    21.4200  -19.3200
            10  O7a O    23.8000  -16.5200
            11  O6a O    21.4200  -16.5200
            12  C1b C    20.1600  -18.6200
            13  C1b C    23.8000  -15.1200
            14  C8y C    18.9700  -19.3200
            15  C1a C    22.6100  -14.4200
            16  C1y C    27.4400  -17.2200
            17  C1x C    28.7700  -19.0400
            18  C1z C    29.6100  -17.9200
            19  C1x C    28.7700  -16.8000
            20  S2x S    30.4500  -19.0400
            21  C1x C    31.7800  -18.6200
            22  C1x C    31.7800  -17.2200
            23  S2x S    30.4500  -16.8000
            24  C6a C    27.4400  -15.8200
            25  O6a O    28.6300  -15.1200
            26  O6a O    26.2500  -15.1200
            27  C8x C    17.7800  -18.6200
            28  C8x C    16.5900  -19.3900
            29  C8x C    16.5900  -20.7900
            30  C8x C    17.7800  -21.4200
            31  C8x C    18.9700  -20.7200
BOND        33
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 1
            5     3   6 1 #Up
            6     5   7 1
            7     7   8 1 #Up
            8     7   9 1
            9     8  10 1
            10    8  11 2
            11    9  12 1
            12   10  13 1
            13   12  14 1
            14   13  15 1
            15    1  16 1
            16    1  17 1
            17   17  18 1
            18   18  19 1
            19   16  19 1
            20   18  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   18  23 1
            25   16  24 1 #Down
            26   24  25 1
            27   24  26 2
            28   14  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   14  31 1

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