KEGG   DRUG: D02765Help
Entry
D02765                      Drug                                   

Name
Adaprolol maleate (USAN)
Formula
C26H39NO4. C4H4O4
Exact mass
545.2989
Mol weight
545.6643
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive [beta-blocker;
Ophthalmic]
Comment
prodrug, active substance: Metoprolol [DR:D02358]
Target
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
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Adaprolol
      D02765  Adaprolol maleate (USAN)
    beta2-adrenergic receptor [HSA:154] [KO:K04142]
     Adaprolol
      D02765  Adaprolol maleate (USAN)
    beta3-adrenergic receptor [HSA:155] [KO:K04143]
     Adaprolol
      D02765  Adaprolol maleate (USAN)
BRITE hierarchy
Other DBs
CAS: 
121009-31-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        39
            1   C2b C    30.6423  -21.4126
            2   C2b C    28.8232  -21.4126
            3   C6a C    28.1935  -22.6020
            4   C6a C    31.3420  -22.6020
            5   O6a O    28.8232  -23.7915
            6   O6a O    30.6423  -23.7915
            7   O6a O    32.7413  -22.6020
            8   O6a O    26.8641  -22.6020
            9   O7a O    18.2628  -16.0930
            10  C1b C    17.1433  -16.7227
            11  C1b C    15.9539  -16.0230
            12  C1b C    20.6417  -16.0930
            13  C7a C    19.4522  -16.7927
            14  C8x C    22.9506  -16.0930
            15  C8y C    21.7611  -16.7927
            16  C8x C    24.1400  -16.7927
            17  O6a O    19.4522  -18.1920
            18  C8y C    24.1400  -18.1920
            19  C8x C    22.9506  -18.8217
            20  C8x C    21.7611  -18.1920
            21  C1b C    26.5189  -18.1920
            22  O2a O    25.3294  -18.8217
            23  C1b C    28.8977  -18.1920
            24  C1c C    27.7083  -18.8217
            25  C1a C    31.2766  -16.7927
            26  C1c C    31.2766  -18.1920
            27  N1b N    30.0872  -18.8217
            28  C1a C    32.3961  -18.8217
            29  O1a O    27.7083  -20.2210
            30  C1z C    14.6945  -16.7227
            31  C1x C    13.9948  -18.1220
            32  C1y C    13.9948  -19.3814
            33  C1y C    13.5051  -18.6818
            34  C1y C    15.8140  -18.6818
            35  C1x C    12.3856  -19.8012
            36  C1x C    15.1143  -20.4309
            37  C1x C    13.5051  -17.3524
            38  C1x C    14.6945  -19.3115
            39  C1x C    15.8140  -17.3524
BOND        41
            1     1   2 2
            2     2   3 1
            3     1   4 1
            4     3   5 2
            5     4   6 1
            6     4   7 2
            7     3   8 1
            8     9  10 1
            9    10  11 1
            10   12  13 1
            11    9  13 1
            12   14  15 2
            13   12  15 1
            14   14  16 1
            15   13  17 2
            16   16  18 2
            17   18  19 1
            18   19  20 2
            19   15  20 1
            20   21  22 1
            21   18  22 1
            22   23  24 1
            23   21  24 1
            24   25  26 1
            25   26  27 1
            26   23  27 1
            27   26  28 1
            28   24  29 1
            29   11  30 1
            30   30  31 1
            31   31  32 1
            32   37  33 1
            33   33  38 1
            34   38  34 1
            35   34  39 1
            36   39  30 1
            37   30  37 1
            38   32  35 1
            39   32  36 1
            40   33  35 1
            41   34  36 1

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