KEGG   DRUG: Acetyldigoxin
Entry
D07555                      Drug                                   

Name
Acetyldigoxin;
Cedigossima (TN)
Formula
C43H66O15
Exact mass
822.4402
Mol weight
822.9751
Structure
Simcomp
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01698  Cardiac glycoside
   DG01697  Digitalis cardiac glycoside
Remark
Same as: C22189
ATC code: C01AA02
Efficacy
Cardiotonic
Comment
Digitalis glycoside
Target
ATP1A [HSA:476 477 478 480] [KO:K01539]
  Pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
Interaction
Structure map
map07233  Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AA Digitalis glycosides
     C01AA02 Acetyldigoxin
      D07555  Acetyldigoxin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP1A
     D07555  Acetyldigoxin
Other DBs
CAS: 5511-98-8
PubChem: 51091876
ChEMBL: CHEMBL2074725
LigandBox: D07555
NIKKAJI: J20.611C
LinkDB
KCF data

ATOM        58
            1   O2a O    21.1400  -19.5300
            2   C1y C    22.3300  -18.7600
            3   C1x C    23.5200  -19.4600
            4   C1y C    24.7100  -18.7600
            5   C1z C    24.7100  -17.3600
            6   C1x C    23.5200  -16.6600
            7   C1x C    22.3300  -17.3600
            8   C1x C    25.9700  -19.4600
            9   C1x C    27.1600  -18.7600
            10  C1y C    27.1600  -17.3600
            11  C1y C    25.9700  -16.6600
            12  C1z C    28.3500  -16.6600
            13  C1z C    28.3500  -15.2600
            14  C1y C    27.1600  -14.5600
            15  C1x C    25.9700  -15.2600
            16  C1a C    28.3500  -13.8600
            17  O1a O    28.3500  -18.0600
            18  C1a C    24.7100  -15.9600
            19  C1y C    19.8800  -18.9000
            20  O2x O    19.8800  -17.5000
            21  C1y C    18.5500  -16.8000
            22  C1y C    17.3600  -17.5000
            23  C1y C    17.3600  -18.9000
            24  C1x C    18.5500  -19.6000
            25  O2a O    16.1700  -16.8000
            26  C1y C    14.9800  -17.5000
            27  O2x O    14.9800  -18.9000
            28  O1a O    16.1700  -19.6000
            29  C1x C    13.7200  -16.8000
            30  C1y C    12.5300  -17.5000
            31  C1y C    12.5300  -18.9000
            32  C1y C    13.7200  -19.6000
            33  O1a O    11.3400  -16.8000
            34  O2x O    10.0800  -17.5000
            35  C1y C    10.0800  -18.9000
            36  O2a O    11.3400  -19.6000
            37  C1y C     8.8900  -16.8000
            38  C1y C     7.7000  -17.5000
            39  C1y C     7.7000  -18.9000
            40  C1x C     8.8900  -19.6000
            41  O1a O     6.4400  -16.8000
            42  O7a O     6.4400  -19.6000
            43  C1a C    18.5500  -15.4000
            44  C1a C    13.7200  -21.0000
            45  C1a C     8.8900  -15.4000
            46  O1a O    27.1600  -13.1600
            47  C7a C     5.1800  -18.9000
            48  C1a C     3.9900  -19.6000
            49  C1x C    30.8000  -16.6600
            50  C1x C    30.8000  -15.2600
            51  C1y C    29.5400  -14.5600
            52  C2y C    29.5400  -13.1600
            53  C2x C    31.0100  -13.1600
            54  C7x C    31.4300  -11.8300
            55  O7x O    30.3100  -10.9900
            56  C1x C    29.1900  -11.7600
            57  O6a O    32.7600  -11.4100
            58  O6a O     5.1628  -17.5001
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   13  16 1 #Up
            19   12  17 1 #Up
            20    5  18 1 #Up
            21   19   1 1 #Up
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28   22  25 1 #Down
            29   26  25 1 #Down
            30   26  27 1
            31   23  28 1 #Down
            32   26  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   27  32 1
            37   30  33 1 #Up
            38   34  35 1
            39   35  36 1 #Up
            40   31  36 1 #Up
            41   34  37 1
            42   37  38 1
            43   38  39 1
            44   39  40 1
            45   35  40 1
            46   38  41 1 #Down
            47   39  42 1 #Down
            48   21  43 1 #Up
            49   32  44 1 #Down
            50   37  45 1 #Up
            51   14  46 1 #Up
            52   42  47 1
            53   47  48 1
            54   12  49 1
            55   49  50 1
            56   50  51 1
            57   13  51 1
            58   51  52 1 #Up
            59   52  53 2
            60   53  54 1
            61   54  55 1
            62   55  56 1
            63   54  57 2
            64   52  56 1
            65   47  58 2

» Japanese version   » Back

DBGET integrated database retrieval system