KEGG   DRUG: D03879Help
Entry
D03879                      Drug                                   

Name
Dobutamine (USP/INN)
Formula
C18H23NO3
Exact mass
301.1678
Mol weight
301.3801
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiotonic
Remark
Same as: 
ATC code: 
Comment
Catecholamine
Dopamine derivative
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
      D03879  Dobutamine (USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Dobutamine [ATC:C01CA07]
      D03879  Dobutamine (USP/INN)
BRITE hierarchy
Other DBs
CAS: 
34368-04-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    38.2826  -18.9694
            2   C8x C    39.4995  -18.2765
            3   C8x C    38.2769  -20.3727
            4   C1b C    37.0716  -18.2706
            5   C8y C    40.7107  -18.9810
            6   C8x C    39.4878  -21.0772
            7   C1b C    35.8546  -18.9694
            8   C8y C    40.7748  -20.3785
            9   O1a O    41.9276  -18.2882
            10  N1b N    34.6436  -18.2765
            11  O1a O    41.9860  -21.0829
            12  C1c C    33.4383  -18.9753
            13  C1b C    32.2214  -18.2765
            14  C1a C    33.4383  -20.3727
            15  C1b C    31.0102  -18.9753
            16  C8y C    29.7934  -18.2765
            17  C8x C    28.5881  -18.9753
            18  C8x C    29.7934  -16.8791
            19  C8x C    27.3712  -18.2765
            20  C8x C    28.5881  -16.1745
            21  C8y C    27.3712  -16.8791
            22  O1a O    26.1542  -16.1745
BOND        23
            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

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