KEGG   DRUG: D09847Help
Entry
D09847                      Drug                                   

Name
Metildigoxin (INN);
Medigoxin (BAN)
Formula
C42H66O14
Exact mass
794.4453
Mol weight
794.965
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiotonic
Remark
ATC code: 
Drug group: 
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
     C01AA08 Metildigoxin
      D09847  Metildigoxin (INN); Medigoxin (BAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    Metildigoxin
     D09847  Metildigoxin (INN); Medigoxin (BAN)
BRITE hierarchy
Other DBs
CAS: 
30685-43-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        56
            1   C1y C    13.8710  -21.6472
            2   C1y C    13.8710  -23.0484
            3   C1x C    15.0620  -23.7489
            4   C1y C    16.3230  -23.0484
            5   O2x O    16.3230  -21.6472
            6   C1y C    15.0620  -20.9467
            7   O2a O    17.5139  -23.7489
            8   C1y C    18.7049  -23.0484
            9   C1y C    19.8958  -23.7489
            10  O2x O    21.1568  -23.0484
            11  C1y C    21.1568  -21.6472
            12  C1x C    19.9659  -20.9467
            13  C1y C    18.7049  -21.6472
            14  O2a O    22.3478  -20.9467
            15  C1y C    23.5387  -21.6472
            16  C1y C    23.5387  -23.0484
            17  C1x C    24.7997  -23.7489
            18  C1y C    25.9907  -23.0484
            19  O2x O    25.9907  -21.6472
            20  C1y C    24.7997  -20.9467
            21  O2a O    27.1816  -23.7489
            22  C1y C    28.3726  -23.0484
            23  C1x C    29.5635  -23.7489
            24  C1y C    30.8245  -23.0484
            25  C1z C    30.8245  -21.6472
            26  C1x C    29.6336  -20.9467
            27  C1x C    28.3726  -21.6472
            28  C1x C    32.0155  -23.7489
            29  C1x C    33.2064  -23.0484
            30  C1y C    33.2064  -21.6472
            31  C1y C    32.0155  -20.9467
            32  C1z C    34.4674  -20.9467
            33  C1z C    34.4674  -19.5456
            34  C1y C    33.2064  -18.8450
            35  C1x C    32.0155  -19.5456
            36  O1a O    12.6801  -23.7489
            37  O2a O    12.6801  -20.9467
            38  C1a C    11.4891  -21.6472
            39  C1a C    15.0620  -19.5456
            40  O1a O    17.5139  -20.9467
            41  C1a C    24.7997  -19.5456
            42  C1a C    30.8245  -20.2461
            43  O1a O    33.2064  -17.4439
            44  O1a O    34.4674  -22.3478
            45  C1a C    34.4674  -18.1444
            46  C1a C    19.8958  -25.1500
            47  O1a O    22.3478  -23.7489
            48  C1x C    36.8923  -20.9467
            49  C1x C    36.8923  -19.5456
            50  C1y C    35.6799  -18.8456
            51  C2y C    35.6797  -17.4301
            52  C2x C    36.8254  -16.5973
            53  C7x C    36.3873  -15.2502
            54  O7x O    34.9708  -15.2506
            55  C1x C    34.5335  -16.5978
            56  O6a O    37.2096  -14.1178
BOND        63
            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     4   7 1 #Up
            8     8   7 1 #Up
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15   11  14 1 #Down
            16   15  14 1 #Down
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23   18  21 1 #Up
            24   22  21 1 #Up
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   24  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   25  31 1
            36   30  32 1
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   31  35 1
            41    2  36 1 #Down
            42    1  37 1 #Down
            43   37  38 1
            44    6  39 1 #Up
            45   13  40 1 #Up
            46   20  41 1 #Up
            47   25  42 1 #Up
            48   34  43 1 #Up
            49   32  44 1 #Up
            50   33  45 1 #Up
            51    9  46 1 #Down
            52   16  47 1 #Down
            53   32  48 1
            54   48  49 1
            55   49  50 1
            56   33  50 1
            57   50  51 1 #Up
            58   51  52 2
            59   52  53 1
            60   53  54 1
            61   54  55 1
            62   51  55 1
            63   53  56 2

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