KEGG   DRUG: D06881Help
Entry
D06881                      Drug                                   

Name
Acetyldigitoxin (INN);
Acylanid (TN)
Formula
C43H66O14
Exact mass
806.4453
Mol weight
806.9757
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiotonic
Remark
ATC code: 
Target
Na+,K+-ATPase inhibitor [HSA:476 477 478 480 23439 481 482 483] [KO:K01539 K01540]
  Pathway
hsa04260  Cardiac muscle contraction  
 
Interaction
Drug interaction
Structure map
Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AA Digitalis glycosides
     C01AA01 Acetyldigitoxin
      D06881  Acetyldigitoxin (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase [HSA:476 477 478 480 23439 481 482 483] [KO:K01539 K01540]
    Acetyldigitoxin [ATC:C01AA01]
     D06881  Acetyldigitoxin (INN)
BRITE hierarchy
Other DBs
CAS: 
1111-39-3
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   C1y C     9.0130  -19.7222
            2   O2x O     9.0124  -18.3205
            3   C1y C     7.8123  -17.6283
            4   C1y C     6.6128  -18.3215
            5   C1y C     6.6133  -19.7232
            6   C1x C     7.8134  -20.4155
            7   C1y C    13.7975  -18.3115
            8   C1x C    12.6217  -17.6327
            9   C1y C    11.4219  -18.3256
            10  C1y C    11.4219  -19.7110
            11  C1y C    12.5977  -20.3898
            12  O2x O    13.7976  -19.6970
            13  C1y C    18.5765  -19.7157
            14  O2x O    18.5765  -18.3204
            15  C1y C    17.3766  -17.6277
            16  C1y C    16.1767  -18.3205
            17  C1y C    16.1767  -19.7158
            18  C1x C    17.3767  -20.4085
            19  C1x C    24.5620  -16.2419
            20  C1y C    24.5620  -17.6274
            21  C1y C    25.7619  -18.3201
            22  C1z C    26.9618  -17.6274
            23  C1z C    26.9618  -16.2419
            24  C1x C    25.7619  -15.5492
            25  C1x C    29.3614  -17.6274
            26  C1x C    29.3614  -16.2419
            27  C1y C    28.1616  -15.5492
            28  C1z C    23.3622  -18.3201
            29  C1y C    23.3622  -19.7056
            30  C1x C    24.5620  -20.3983
            31  C1x C    25.7619  -19.7056
            32  C1x C    22.1623  -17.6274
            33  C1x C    20.9625  -18.3201
            34  C1y C    20.9625  -19.7056
            35  C1x C    22.1623  -20.3983
            36  C2y C    28.1616  -14.1637
            37  C2x C    29.5496  -14.1390
            38  C7x C    29.9562  -12.8123
            39  O7x O    28.8201  -12.0155
            40  C1x C    27.7113  -12.8498
            41  O6a O    31.2851  -12.3562
            42  C1a C    26.9618  -14.8566
            43  O1a O    26.9566  -19.0123
            44  C1a C    23.3622  -16.9348
            45  O2a O    19.7606  -20.3995
            46  C1a C    17.3765  -16.2420
            47  O1a O    14.9837  -20.4047
            48  O2a O    14.9791  -17.6291
            49  C1a C    12.5979  -21.7837
            50  O2a O    10.2082  -20.4121
            51  O1a O    10.2032  -17.6220
            52  C1a C     7.8118  -16.2420
            53  O1a O     5.4176  -17.6320
            54  O7a O     5.4264  -20.4089
            55  C7a C     4.2339  -19.7208
            56  O6a O     3.0640  -20.3968
            57  C1a C     4.2332  -18.3205
BOND        64
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    7  12 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   13  18 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   19  24 1
            25   22  25 1
            26   25  26 1
            27   26  27 1
            28   23  27 1
            29   20  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   21  31 1
            34   28  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   29  35 1
            39   27  36 1
            40   36  37 2
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   36  40 1
            45   38  41 2
            46   23  42 1 #Up
            47   22  43 1 #Up
            48   28  44 1 #Up
            49   34  45 1 #Up
            50   13  45 1 #Up
            51   15  46 1 #Up
            52   17  47 1 #Down
            53   16  48 1 #Down
            54    7  48 1 #Down
            55   11  49 1 #Down
            56   10  50 1 #Up
            57    9  51 1 #Up
            58    1  50 1 #Up
            59    3  52 1 #Up
            60    4  53 1 #Down
            61    5  54 1 #Down
            62   54  55 1
            63   55  56 2
            64   55  57 1

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