KEGG   DRUG: D03880Help
Entry
D03880                      Drug                                   

Name
Dobutamine lactobionate (USAN)
Formula
C12H22O12. C18H23NO3
Exact mass
659.2789
Mol weight
659.676
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiotonic
Remark
ATC code: 
Target
beta1-adrenergic receptor agonist [HSA:153] [KO:K04141]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Structure map
beta-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA07 Dobutamine
      D03880  Dobutamine lactobionate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Dobutamine [ATC:C01CA07]
      D03880  Dobutamine lactobionate (USAN)
BRITE hierarchy
Other DBs
CAS: 
104564-71-8
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        46
            1   C8y C    34.3215  -11.3144
            2   C8x C    35.5366  -10.6225
            3   C8x C    34.3158  -12.7157
            4   C1b C    33.1121  -10.6166
            5   C8y C    36.8161  -11.3260
            6   C8x C    35.5249  -13.4192
            7   C1b C    31.8969  -11.3144
            8   C8y C    36.8101  -12.7215
            9   O1a O    37.9613  -10.6342
            10  N1b N    30.6876  -10.6225
            11  O1a O    38.0195  -13.4249
            12  C1c C    29.4840  -11.3203
            13  C1b C    28.2688  -10.6225
            14  C1a C    29.4840  -12.7157
            15  C1b C    27.0593  -11.3203
            16  C8y C    25.8442  -10.6225
            17  C8x C    24.6407  -11.3203
            18  C8x C    25.8442   -9.2271
            19  C8x C    23.4254  -10.6225
            20  C8x C    24.6407   -8.5235
            21  C8y C    23.4254   -9.2271
            22  O1a O    22.2102   -8.5235
            23  C1c C    46.3934   -9.7245
            24  C1c C    47.5830   -9.0947
            25  C1c C    45.2039   -9.0248
            26  C1b C    43.9442   -9.7245
            27  O1a O    42.7546   -9.0248
            28  O1a O    45.2039   -7.6252
            29  C1c C    48.7726   -9.7245
            30  C6a C    50.0322   -9.0248
            31  O6a O    51.2219   -9.7245
            32  O6a O    50.0322   -7.6252
            33  C1y C    45.2039  -11.8938
            34  O2x O    44.0142  -11.1941
            35  C1y C    45.2039  -13.2233
            36  C1y C    42.8246  -11.8938
            37  C1y C    44.0142  -13.9231
            38  O1a O    46.4634  -13.9231
            39  C1y C    42.8246  -13.2233
            40  C1b C    41.5651  -11.1941
            41  O1a O    44.0142  -15.3226
            42  O1a O    41.5651  -13.9231
            43  O1a O    40.3754  -11.8938
            44  O2a O    46.3934  -11.1941
            45  O1a O    47.5830   -7.6252
            46  O1a O    48.7726  -11.1941
BOND        47
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11   10  12 1
            12   12  13 1
            13   12  14 1
            14   13  15 1
            15   15  16 1
            16   16  17 2
            17   16  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21   21  22 1
            22    6   8 1
            23   20  21 1
            24   23  24 1
            25   23  25 1
            26   25  26 1
            27   26  27 1
            28   25  28 1 #Up
            29   24  29 1
            30   29  30 1
            31   30  31 1
            32   30  32 2
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   35  37 1
            37   35  38 1 #Down
            38   36  39 1
            39   36  40 1 #Up
            40   37  41 1 #Up
            41   39  42 1 #Up
            42   40  43 1
            43   37  39 1
            44   33  44 1 #Up
            45   23  44 1 #Down
            46   24  45 1 #Down
            47   29  46 1 #Down

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