KEGG   DRUG: D07147Help
Entry
D07147                      Drug                                   

Name
Gitoformate (INN)
Formula
C46H64O19
Exact mass
920.4042
Mol weight
920.989
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
     C01AA09 Gitoformate
      D07147  Gitoformate (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   sodium/potassium-transporting ATPase
    Gitoformate
     D07147  Gitoformate (INN)
BRITE hierarchy
Other DBs
CAS: 
7685-23-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        65
            1   C1x C    28.7000  -27.5100
            2   C1y C    28.7000  -28.9100
            3   C1y C    29.8900  -29.6100
            4   C1z C    31.1500  -28.9100
            5   C1z C    31.1500  -27.5100
            6   C1x C    29.8900  -26.8100
            7   C1z C    27.5100  -29.6100
            8   C1y C    27.5100  -31.0100
            9   C1x C    28.7000  -31.7100
            10  C1x C    29.8900  -31.0100
            11  C1x C    26.2500  -28.9100
            12  C1x C    25.0600  -29.6100
            13  C1y C    25.0600  -31.0100
            14  C1x C    26.2500  -31.7100
            15  C1x C    32.4800  -29.3300
            16  C1y C    33.2500  -28.2100
            17  C1y C    32.4800  -27.0900
            18  C2y C    32.9000  -25.7600
            19  C2x C    34.2300  -25.3400
            20  C7x C    34.2300  -23.9400
            21  O7x O    32.9000  -23.4500
            22  C1x C    32.0600  -24.6400
            23  O6a O    35.3500  -23.1000
            24  O2a O    34.4400  -27.5100
            25  C7a C    35.6300  -28.2100
            26  O6a O    36.8200  -27.5100
            27  O1a O    31.1500  -30.3100
            28  C1a C    31.1500  -26.1100
            29  C1a C    27.5100  -28.2100
            30  O2a O    23.8447  -31.7051
            31  C1y C    22.6563  -31.0123
            32  O2x O    22.6621  -29.6101
            33  C1y C    21.4525  -28.9051
            34  C1y C    20.2372  -29.6001
            35  C1y C    20.2314  -31.0022
            36  C1x C    21.4409  -31.7073
            37  C1a C    21.3882  -27.5105
            38  O2a O    19.0117  -31.6997
            39  O2a O    19.0267  -28.8945
            40  C1y C    17.8148  -29.5875
            41  C7a C    19.0056  -33.1096
            42  O6a O    17.8161  -33.7898
            43  C1x C    16.5898  -28.8729
            44  C1y C    15.3742  -29.5675
            45  C1y C    15.3680  -30.9675
            46  C1y C    16.5931  -31.6821
            47  O2x O    17.8086  -30.9875
            48  C1a C    16.5868  -33.1100
            49  O2a O    14.1883  -31.6413
            50  C1y C    12.9949  -30.9447
            51  O2x O    13.0014  -29.5401
            52  C1y C    11.7923  -28.8345
            53  C1y C    10.5766  -29.5288
            54  C1y C    10.5700  -30.9334
            55  C1x C    11.7792  -31.6390
            56  O2a O    14.1727  -28.8664
            57  C7a C    14.1727  -27.4664
            58  C1a C    11.7287  -27.4405
            59  O2a O     9.3675  -28.8231
            60  C7a C     8.1541  -29.5161
            61  O6a O     6.9306  -28.8016
            62  O2a O     9.3515  -31.6293
            63  O6a O    12.9241  -26.7460
            64  C7a C     8.1683  -30.9387
            65  O6a O     6.9685  -31.6240
BOND        72
            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     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    3  10 1
            12    7  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    8  14 1
            17    4  15 1
            18   15  16 1
            19   16  17 1
            20    5  17 1
            21   17  18 1
            22   18  19 2
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   18  22 1
            27   20  23 2
            28   24  25 1
            29   24  16 1
            30   25  26 2
            31    4  27 1
            32    5  28 1
            33    7  29 1
            34   13  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   35  36 1
            41   31  36 1
            42   33  37 1
            43   35  38 1
            44   34  39 1
            45   39  40 1
            46   38  41 1
            47   41  42 2
            48   40  43 1
            49   43  44 1
            50   44  45 1
            51   45  46 1
            52   46  47 1
            53   40  47 1
            54   46  48 1
            55   45  49 1
            56   49  50 1
            57   50  51 1
            58   51  52 1
            59   52  53 1
            60   53  54 1
            61   54  55 1
            62   50  55 1
            63   44  56 1
            64   56  57 1
            65   52  58 1
            66   53  59 1
            67   59  60 1
            68   60  61 2
            69   54  62 1
            70   57  63 2
            71   62  64 1
            72   64  65 2

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