KEGG   DRUG: GitoformateHelp
Entry
D07147                      Drug                                   

Name
Gitoformate (INN)
Formula
C46H64O19
Exact mass
920.4042
Mol weight
920.989
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01698  Cardiac glycoside
   DG01697  Digitalis cardiac glycoside
Remark
ATC code: 
Activity
Cardiotonic
Target
Na+,K+-ATPase [HSA:476 477 478 480 23439 481 482 483] [KO:K01539 K01540]
  Pathway
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: 
LinkDB All DBs
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

» Japanese version   » Back

DBGET integrated database retrieval system