KEGG   DRUG: D09843Help
Entry
D09843                      Drug                                   

Name
Beradilol monoethyl maleate (JAN);
TZC-5665
Formula
C25H30ClN5O3. C6H8O4
Exact mass
627.246
Mol weight
628.1157
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Drug group: 
Target
phosphodiesterase (PDE) III inhibitor [HSA:5139 5140] [KO:K13296];
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141];
beta2-adrenergic receptor antagonist [HSA:154] [KO:K04142];
beta3-adrenergic receptor antagonist [HSA:155] [KO:K04143]
  Pathway
hsa04261  Adrenergic signaling in cardiomyocytes  
 
Other DBs
CAS: 
114856-47-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        44
            1   C5x C    15.4700  -21.7000
            2   C1x C    15.4700  -20.3000
            3   C1y C    16.6600  -19.6000
            4   C2y C    17.8500  -20.3000
            5   N2x N    17.8500  -21.7000
            6   N1x N    16.6600  -22.4000
            7   C8y C    19.1100  -19.6000
            8   C8x C    19.1100  -18.2000
            9   C8x C    20.3000  -17.5000
            10  C8y C    21.5600  -18.2000
            11  C8x C    21.5600  -19.6000
            12  C8x C    20.3000  -20.3000
            13  N1b N    22.7500  -17.5000
            14  C1b C    23.9400  -18.2000
            15  C1d C    25.1300  -17.5000
            16  N1b N    26.3200  -18.2000
            17  C1a C    25.8300  -16.3100
            18  C1a C    24.4300  -16.3100
            19  C1b C    27.5100  -17.5000
            20  C1c C    28.7000  -18.2000
            21  C1b C    29.8900  -17.5000
            22  O1a O    28.7000  -19.6000
            23  O2a O    31.0800  -18.2000
            24  C8y C    32.2700  -17.5000
            25  C8y C    32.2700  -16.1000
            26  C8x C    33.4600  -15.4000
            27  C8x C    34.7200  -16.1000
            28  C8y C    34.7200  -17.5000
            29  C8x C    33.4600  -18.2000
            30  C3b C    31.0100  -15.4000
            31  X   Cl   35.9100  -18.2000
            32  C1a C    16.6600  -18.2000
            33  O5x O    14.2800  -22.4000
            34  N3a N    29.8200  -14.7000
            35  C2b C    37.3800  -20.7900
            36  C2b C    39.0600  -20.7900
            37  C6a C    39.7600  -21.9800
            38  C7a C    36.6800  -21.9800
            39  O7a O    35.2800  -21.9800
            40  O6a O    37.3800  -23.1700
            41  O6a O    41.1600  -21.9800
            42  O6a O    39.0600  -23.1700
            43  C1b C    34.5800  -20.7900
            44  C1a C    33.1800  -20.7900
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1
            19   15  18 1
            20   16  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 1
            24   21  23 1
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   24  29 1
            32   25  30 1
            33   28  31 1
            34    3  32 1
            35    1  33 2
            36   30  34 3
            37   35  36 2
            38   36  37 1
            39   35  38 1
            40   38  39 1
            41   38  40 2
            42   37  41 2
            43   37  42 1
            44   39  43 1
            45   43  44 1

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