KEGG   DRUG: D09732Help
Entry
D09732                      Drug                                   

Name
Ritobegron ethyl hydrochloride (JAN)
Formula
C23H31NO5. HCl
Exact mass
437.1969
Mol weight
437.9569
Structure
Mol fileKCF fileDB searchJmolKegDraw
Target
beta3-adrenergic receptor agonist [HSA:155] [KO:K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04144  Endocytosis
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta3-adrenergic receptor [HSA:155] [KO:K04143]
     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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