KEGG   DRUG: Ritobegron ethyl hydrochlorideHelp
Entry
D09732                      Drug                                   

Name
Ritobegron ethyl hydrochloride (JAN)
Formula
C23H31NO5. HCl
Exact mass
437.1969
Mol weight
437.9569
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01453  beta3-Adrenergic receptor agonist
Target
beta3-adrenergic receptor [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Endocytosis
Salivary secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta3-adrenergic receptor
     Ritobegron
      D09732  Ritobegron ethyl hydrochloride (JAN)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        30
            1   C8x C     9.4500  -16.8700
            2   C8y C     9.4500  -15.4700
            3   C8x C    10.6400  -14.7700
            4   C8x C    11.9000  -15.4700
            5   C8y C    11.9000  -16.8700
            6   C8x C    10.6400  -17.5700
            7   O1a O     8.2600  -14.7700
            8   C1c C    13.0900  -17.5700
            9   C1c C    14.2800  -16.8700
            10  O1a O    13.0900  -18.9700
            11  N1b N    15.4700  -17.5700
            12  C1a C    14.2800  -15.4700
            13  C1b C    16.6600  -16.8700
            14  C1b C    17.8500  -17.5700
            15  C8y C    19.0400  -16.8700
            16  C8x C    19.0400  -15.4700
            17  C8y C    20.3000  -14.7700
            18  C8y C    21.4900  -15.4700
            19  C8x C    21.4900  -16.8700
            20  C8y C    20.3000  -17.5700
            21  C1a C    20.3000  -18.9700
            22  C1a C    20.3000  -13.3700
            23  O2a O    22.6800  -14.7700
            24  C1b C    23.9400  -15.4700
            25  C7a C    25.1300  -14.7700
            26  O7a O    26.3200  -15.4700
            27  O6a O    25.1300  -13.3700
            28  C1b C    27.5100  -14.7700
            29  C1a C    28.7000  -15.4700
            30  X   Cl   28.8400  -18.7600
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 1 #Down
            11    9  11 1
            12    9  12 1 #Down
            13   11  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   20  21 1
            23   17  22 1
            24   18  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   25  27 2
            29   26  28 1
            30   28  29 1

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