KEGG   DRUG: Dobutamine lactobionateHelp
Entry
D03880                      Drug                                   

Name
Dobutamine lactobionate (USAN)
Formula
C12H22O12. C18H23NO3
Exact mass
659.2789
Mol weight
659.676
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01699  Catecholamine cardiotonic
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01451  beta1-Adrenergic receptor agonist
Remark
ATC code: 
Chemical group: 
Activity
Cardiotonic, beta1-Adrenergic receptor agonist
Comment
Catecholamine derivative
Target
ADRB1 [HSA:153] [KO:K04141]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
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
     Dobutamine
      D03880  Dobutamine lactobionate (USAN)
BRITE hierarchy
Other DBs
CAS: 
104564-71-8
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        46
            1   C8y C     7.8400  -16.0300
            2   C8x C     6.5800  -15.3300
            3   C8x C     7.8400  -17.4300
            4   C1b C     9.0300  -15.3300
            5   C8y C     5.3200  -16.0300
            6   C8x C     6.6500  -18.1300
            7   C1b C    10.2200  -16.0300
            8   C8y C     5.3200  -17.4300
            9   O1a O     4.2000  -15.3300
            10  N1b N    11.4800  -15.3300
            11  O1a O     4.1300  -18.1300
            12  C1c C    12.6700  -16.0300
            13  C1b C    13.8600  -15.3300
            14  C1a C    12.6700  -17.4300
            15  C1b C    15.0500  -16.0300
            16  C8y C    16.3100  -15.3300
            17  C8x C    17.5000  -16.0300
            18  C8x C    16.3100  -13.9300
            19  C8x C    18.6900  -15.3300
            20  C8x C    17.5000  -13.2300
            21  C8y C    18.6900  -13.9300
            22  O1a O    19.9500  -13.2300
            23  C1c C    28.3500  -14.4200
            24  C1c C    29.5400  -13.7900
            25  C1c C    27.1600  -13.7200
            26  C1b C    25.9000  -14.4200
            27  O1a O    24.7100  -13.7200
            28  O1a O    27.1600  -12.3200
            29  C1c C    30.7300  -14.4200
            30  C6a C    31.9900  -13.7200
            31  O6a O    33.1800  -14.4200
            32  O6a O    31.9900  -12.3200
            33  C1y C    27.1600  -16.5900
            34  O2x O    25.9700  -15.8900
            35  C1y C    27.1600  -17.9200
            36  C1y C    24.7800  -16.5900
            37  C1y C    25.9700  -18.6200
            38  O1a O    28.4200  -18.6200
            39  C1y C    24.7800  -17.9200
            40  C1b C    23.5200  -15.8900
            41  O1a O    25.9700  -20.0200
            42  O1a O    23.5200  -18.6200
            43  O1a O    22.3300  -16.5900
            44  O2a O    28.3500  -15.8900
            45  O1a O    29.5400  -12.3200
            46  O1a O    30.7300  -15.8900
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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