KEGG   DRUG: D02587Help
Entry
D02587                      Drug                                   

Name
Metildigoxin (JP16);
Lanirapid (TN)
Formula
(C42H66O14)2. C3H6O
Exact mass
1646.9324
Mol weight
1648.0092
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiotonic
Remark
Therapeutic category: 
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
      D02587  Metildigoxin (JP16)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2113  Digitalis
     D02587  Metildigoxin (JP16)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    Metildigoxin
     D02587  Metildigoxin (JP16)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02587  Metildigoxin
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        116
            1   O5a O    50.3702  -16.2478
            2   C5a C    50.3702  -17.6541
            3   C1a C    49.1524  -18.3573
            4   C1a C    51.5881  -18.3573
            5   C1z C    41.7900  -17.6400
            6   C1z C    41.7900  -16.2400
            7   C1y C    40.6000  -18.3400
            8   C1x C    44.2400  -17.6400
            9   O1a O    41.7900  -19.0400
            10  C1y C    43.0500  -15.6100
            11  C1y C    40.6000  -15.5400
            12  C1a C    41.7900  -14.9100
            13  C1y C    39.4100  -17.6400
            14  C1x C    40.6000  -19.6700
            15  C1x C    44.2400  -16.3100
            16  C2y C    43.0500  -14.2100
            17  C1x C    39.4100  -16.2400
            18  O1a O    40.6000  -14.1400
            19  C1z C    38.2200  -18.3400
            20  C1x C    39.4100  -20.3700
            21  C1x C    42.6300  -12.8800
            22  C2x C    44.3800  -14.2100
            23  C1y C    38.2200  -19.6700
            24  C1x C    37.0300  -17.6400
            25  C1a C    38.2200  -16.9400
            26  O7x O    43.7500  -12.1100
            27  C7x C    44.8700  -12.8800
            28  C1x C    37.0300  -20.3700
            29  C1x C    35.7700  -18.3400
            30  O6a O    46.1300  -12.4600
            31  C1y C    35.7700  -19.6700
            32  O2a O    34.5100  -20.3700
            33  C1y C    33.3200  -19.6700
            34  C1x C    32.1300  -20.3700
            35  O2x O    33.3200  -18.3400
            36  C1y C    30.9400  -19.7400
            37  C1y C    32.1300  -17.6400
            38  C1y C    30.9400  -18.3400
            39  O1a O    29.7500  -20.3700
            40  C1a C    32.1300  -16.2400
            41  O2a O    29.7500  -17.6400
            42  C1y C    28.4900  -18.3400
            43  C1x C    27.3000  -17.6400
            44  O2x O    28.4900  -19.6700
            45  C1y C    26.1100  -18.3400
            46  C1y C    27.3000  -20.3700
            47  C1y C    26.1100  -19.6700
            48  O1a O    24.9200  -17.6400
            49  C1a C    27.3000  -21.7700
            50  O2a O    24.9200  -20.3700
            51  C1y C    23.7300  -19.6700
            52  O2x O    23.7300  -18.2700
            53  C1x C    22.5400  -20.3700
            54  C1y C    22.4700  -17.6400
            55  C1y C    21.2100  -19.6700
            56  C1y C    21.2100  -18.3400
            57  C1a C    22.4700  -16.2400
            58  O1a O    20.0200  -20.3700
            59  O2a O    20.0200  -17.6400
            60  C1a C    18.8300  -18.3400
            61  C1z C    41.7900  -17.6400
            62  C1z C    41.7900  -16.2400
            63  C1y C    43.0500  -15.6100
            64  C2y C    43.0500  -14.2100
            65  C1x C    42.6300  -12.8800
            66  O7x O    43.7500  -12.1100
            67  C7x C    44.8700  -12.8800
            68  C2x C    44.3800  -14.2100
            69  O6a O    46.1300  -12.4600
            70  C1x C    44.2400  -16.3100
            71  C1x C    44.2400  -17.6400
            72  C1y C    40.6000  -15.5400
            73  C1x C    39.4100  -16.2400
            74  C1y C    39.4100  -17.6400
            75  C1y C    40.6000  -18.3400
            76  C1x C    40.6000  -19.6700
            77  C1x C    39.4100  -20.3700
            78  C1y C    38.2200  -19.6700
            79  C1z C    38.2200  -18.3400
            80  C1x C    37.0300  -17.6400
            81  C1x C    35.7700  -18.3400
            82  C1y C    35.7700  -19.6700
            83  C1x C    37.0300  -20.3700
            84  O2a O    34.5100  -20.3700
            85  C1y C    33.3200  -19.6700
            86  C1x C    32.1300  -20.3700
            87  C1y C    30.9400  -19.7400
            88  C1y C    30.9400  -18.3400
            89  O2a O    29.7500  -17.6400
            90  C1y C    28.4900  -18.3400
            91  C1x C    27.3000  -17.6400
            92  C1y C    26.1100  -18.3400
            93  C1y C    26.1100  -19.6700
            94  O2a O    24.9200  -20.3700
            95  C1y C    23.7300  -19.6700
            96  O2x O    23.7300  -18.2700
            97  C1y C    22.4700  -17.6400
            98  C1y C    21.2100  -18.3400
            99  O2a O    20.0200  -17.6400
            100 C1a C    18.8300  -18.3400
            101 C1y C    21.2100  -19.6700
            102 C1x C    22.5400  -20.3700
            103 O1a O    20.0200  -20.3700
            104 C1a C    22.4700  -16.2400
            105 C1y C    27.3000  -20.3700
            106 O2x O    28.4900  -19.6700
            107 C1a C    27.3000  -21.7700
            108 O1a O    24.9200  -17.6400
            109 C1y C    32.1300  -17.6400
            110 O2x O    33.3200  -18.3400
            111 C1a C    32.1300  -16.2400
            112 O1a O    29.7500  -20.3700
            113 C1a C    38.2200  -16.9400
            114 O1a O    40.6000  -14.1400
            115 C1a C    41.7900  -14.9100
            116 O1a O    41.7900  -19.0400
BOND        129
            1     1   2 2
            2     2   3 1
            3     2   4 1
            4     5   6 1
            5     5   7 1
            6     5   8 1
            7     5   9 1 #Up
            8     6  10 1
            9     6  11 1
            10    6  12 1 #Up
            11    7  13 1
            12    7  14 1
            13    8  15 1
            14   10  16 1
            15   11  17 1
            16   11  18 1 #Up
            17   13  19 1
            18   14  20 1
            19   16  21 1
            20   16  22 2
            21   19  23 1
            22   19  24 1
            23   19  25 1 #Up
            24   21  26 1
            25   22  27 1
            26   23  28 1
            27   24  29 1
            28   27  30 2
            29   28  31 1
            30   31  32 1 #Up
            31   33  32 1 #Up
            32   33  34 1
            33   33  35 1
            34   34  36 1
            35   35  37 1
            36   36  38 1
            37   36  39 1 #Down
            38   37  40 1 #Up
            39   38  41 1 #Down
            40   42  41 1 #Down
            41   42  43 1
            42   42  44 1
            43   43  45 1
            44   44  46 1
            45   45  47 1
            46   45  48 1 #Up
            47   46  49 1 #Down
            48   47  50 1 #Up
            49   51  50 1 #Up
            50   51  52 1
            51   51  53 1
            52   52  54 1
            53   53  55 1
            54   54  56 1
            55   54  57 1 #Up
            56   55  58 1 #Down
            57   56  59 1 #Down
            58   10  15 1
            59   13  17 1
            60   20  23 1
            61   26  27 1
            62   29  31 1
            63   37  38 1
            64   46  47 1
            65   55  56 1
            66   59  60 1
            67   61  62 1
            68   61  75 1
            69   61  71 1
            70   61 116 1 #Up
            71   62  63 1
            72   62  72 1
            73   62 115 1 #Up
            74   75  74 1
            75   75  76 1
            76   71  70 1
            77   63  64 1
            78   72  73 1
            79   72 114 1 #Up
            80   74  79 1
            81   76  77 1
            82   64  65 1
            83   64  68 2
            84   79  78 1
            85   79  80 1
            86   79 113 1 #Up
            87   65  66 1
            88   68  67 1
            89   78  83 1
            90   80  81 1
            91   67  69 2
            92   83  82 1
            93   82  84 1 #Up
            94   85  84 1 #Up
            95   85  86 1
            96   85 110 1
            97   86  87 1
            98  110 109 1
            99   87  88 1
            100  87 112 1 #Down
            101 109 111 1 #Up
            102  88  89 1 #Down
            103  90  89 1 #Down
            104  90  91 1
            105  90 106 1
            106  91  92 1
            107 106 105 1
            108  92  93 1
            109  92 108 1 #Up
            110 105 107 1 #Down
            111  93  94 1 #Up
            112  95  94 1 #Up
            113  95  96 1
            114  95 102 1
            115  96  97 1
            116 102 101 1
            117  97  98 1
            118  97 104 1 #Up
            119 101 103 1 #Down
            120  98  99 1 #Down
            121  63  70 1
            122  74  73 1
            123  77  78 1
            124  66  67 1
            125  81  82 1
            126 109  88 1
            127 105  93 1
            128 101  98 1
            129  99 100 1
BRACKET     1    17.1500  -22.4700   17.1500  -11.4100
            1    46.7600  -11.4100   46.7600  -22.4700
            1  2
 ORIGINAL  1    5   6  10  16  21  26  27  22  30  15   8  63  11  17  13   7
            1   14  20  23  19  24  29  31  28  32  33  34  36  38  41  42  43
            1   45  47  50  51  52  54  56  59  64  55  53  58  57  46  44  49
            1   48  37  35  40  39  25  62  60  61  18  12   9
 REPEAT    1   65  66  67  68  69  70  71  72  73  74  75  76  77  78  79  80
            1   81  82  83  84  85  86  87  88  89  90  91  92  93  94  95  96
            1   97  98  99 100 101 102 103 104 105 106 107 108 109 110 111 112
            1  113 114 115 116 117 118 119 120 121 122 123 124

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