KEGG   DRUG: D07556Help
Entry
D07556                      Drug                                   

Name
beta-Acetyldigoxin;
Acetyldigoxin beta isomer;
Corotal (TN)
Formula
C43H66O15
Exact mass
822.4402
Mol weight
822.9751
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiac glycoside
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
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    beta-Acetyldigoxin
     D07556  beta-Acetyldigoxin
BRITE hierarchy
Other DBs
CAS: 
5355-48-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   O2a O    31.2751  -20.3439
            2   C1y C    32.4675  -19.5723
            3   C1x C    33.6600  -20.2737
            4   C1y C    34.8524  -19.5723
            5   C1z C    34.8524  -18.1694
            6   C1x C    33.6600  -17.4680
            7   C1x C    32.4675  -18.1694
            8   C1x C    36.1150  -20.2737
            9   C1x C    37.3074  -19.5723
            10  C1y C    37.3074  -18.1694
            11  C1y C    36.1150  -17.4680
            12  C1z C    38.4999  -17.4680
            13  C1z C    38.4999  -16.0651
            14  C1y C    37.3074  -15.3636
            15  C1x C    36.1150  -16.0651
            16  C1x C    39.8326  -17.8888
            17  C1x C    40.6743  -16.7665
            18  C1y C    39.8326  -15.6442
            19  C2y C    40.2535  -14.3115
            20  C2x C    41.7265  -14.3115
            21  C7x C    42.1474  -12.9788
            22  O7x O    41.0251  -12.1370
            23  C1x C    39.9028  -12.9086
            24  O6a O    43.4801  -12.5579
            25  C1a C    38.4999  -14.6622
            26  O1a O    38.4999  -18.8708
            27  C1a C    34.8524  -16.7665
            28  C1y C    30.0124  -19.7126
            29  O2x O    30.0124  -18.3097
            30  C1y C    28.6796  -17.6083
            31  C1y C    27.4872  -18.3097
            32  C1y C    27.4872  -19.7126
            33  C1x C    28.6796  -20.4140
            34  O2a O    26.2947  -17.6083
            35  C1y C    25.1023  -18.3097
            36  O2x O    25.1023  -19.7126
            37  O1a O    26.2947  -20.4140
            38  C1x C    23.8397  -17.6083
            39  C1y C    22.6472  -18.3097
            40  C1y C    22.6472  -19.7126
            41  C1y C    23.8397  -20.4140
            42  O1a O    21.4548  -17.3983
            43  O2x O    20.1922  -18.3097
            44  C1y C    20.1922  -19.7126
            45  O2a O    21.4548  -20.4140
            46  C1y C    18.9998  -17.6083
            47  C1y C    17.8073  -18.3097
            48  C1y C    17.8073  -19.7126
            49  C1x C    18.9998  -20.4140
            50  C1a C    28.6796  -16.2054
            51  C1a C    23.8397  -21.8169
            52  C1a C    18.9998  -16.2054
            53  O1a O    37.3074  -13.9608
            54  O7a O    16.5895  -17.6132
            55  O1a O    16.5895  -20.4091
            56  C7a C    15.3987  -18.3074
            57  C1a C    14.1998  -17.6218
            58  O6a O    15.4044  -19.5020
BOND        65
            1     2   1 1 #Up
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    5  11 1
            13   10  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   11  15 1
            18   12  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22   18  19 1 #Up
            23   19  20 2
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   19  23 1
            28   21  24 2
            29   13  25 1 #Up
            30   12  26 1 #Up
            31    5  27 1 #Up
            32   28   1 1 #Up
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   28  33 1
            39   31  34 1 #Down
            40   35  34 1 #Down
            41   35  36 1
            42   32  37 1 #Down
            43   35  38 1
            44   38  39 1
            45   39  40 1
            46   40  41 1
            47   36  41 1
            48   39  42 1 #Up
            49   43  44 1
            50   44  45 1 #Up
            51   40  45 1 #Up
            52   43  46 1
            53   46  47 1
            54   47  48 1
            55   48  49 1
            56   44  49 1
            57   30  50 1 #Up
            58   41  51 1 #Down
            59   46  52 1 #Up
            60   14  53 1 #Up
            61   47  54 1 #Down
            62   48  55 1 #Down
            63   54  56 1
            64   56  57 1
            65   56  58 2

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