KEGG   DRUG: D03775Help
Entry
D03775                      Drug                                   

Name
Spiraprilat (USAN/INN)
Formula
C20H26N2O5S2
Exact mass
438.1283
Mol weight
438.5608
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]
    Spiraprilat
     D03775  Spiraprilat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
83602-05-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   N1y N    29.6100   -8.6100
            2   C5a C    28.4200   -9.3100
            3   C1c C    27.2300   -8.6100
            4   O5a O    28.4200  -10.7100
            5   N1b N    25.9700   -9.3100
            6   C1a C    27.2300   -7.2100
            7   C1c C    24.7800   -8.6100
            8   C6a C    24.7800   -7.2100
            9   C1b C    23.6600   -9.3100
            10  O6a O    25.9700   -6.5100
            11  O6a O    23.6600   -6.5100
            12  C1b C    22.4000   -8.6100
            13  C8y C    21.2100   -9.3100
            14  C1y C    29.6100   -7.2100
            15  C1x C    30.9400   -9.0300
            16  C1z C    31.7800   -7.9100
            17  C1x C    30.9400   -6.7900
            18  S2x S    32.6200   -9.0300
            19  C1x C    33.9500   -8.6100
            20  C1x C    33.9500   -7.2100
            21  S2x S    32.6200   -6.7900
            22  C6a C    29.6100   -5.8100
            23  O6a O    30.8000   -5.1100
            24  O6a O    28.4200   -5.1100
            25  C8x C    20.0200   -8.6100
            26  C8x C    18.7600   -9.3100
            27  C8x C    18.7600  -10.7100
            28  C8x C    20.0200  -11.4100
            29  C8x C    21.2100  -10.7100
BOND        31
            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   12  13 1
            13    1  14 1
            14    1  15 1
            15   15  16 1
            16   16  17 1
            17   14  17 1
            18   16  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   16  21 1
            23   14  22 1 #Down
            24   22  23 1
            25   22  24 2
            26   13  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   13  29 1

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