KEGG   DRUG: Spiraprilat
Entry
D03775                      Drug                                   
Name
Spiraprilat (USAN/INN)
Formula
C20H26N2O5S2
Exact mass
438.1283
Mol weight
438.5608
Structure
Simcomp
Class
Cardiovascular agent
 DG01925  Renin-angiotensin system inhibitor
  DG01501  Angiotensin-converting enzyme inhibitor
 DG03231  Antihypertensive
  DG01501  Angiotensin-converting enzyme inhibitor
Efficacy
Antihypertensive, Angiotensin-converting enzyme inhibitor
Target
ACE (CD143) [HSA:1636] [KO:K01283]
  Pathway
hsa04614  Renin-angiotensin system
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01925  Renin-angiotensin system inhibitor
   DG01501  Angiotensin-converting enzyme inhibitor
    D03775  Spiraprilat
  DG03231  Antihypertensive
   DG01501  Angiotensin-converting enzyme inhibitor
    D03775  Spiraprilat
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-dipeptidases
    ACE (CD143)
     D03775  Spiraprilat (USAN/INN)
Other DBs
CAS: 83602-05-5
PubChem: 17397864
ChEBI: 141522
LigandBox: D03775
NIKKAJI: J258.533B
KCF data

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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  All links  
Ontology (2)   
   KEGG BRITE (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (9)   

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