KEGG   DRUG: Amibegron hydrochlorideHelp
Entry
D08851                      Drug                                   

Name
Amibegron hydrochloride (USAN)
Formula
C22H26ClNO4. HCl
Exact mass
439.1317
Mol weight
440.3601
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01453  beta3-Adrenergic receptor agonist
Remark
Chemical group: 
Activity
Antidepressant
Target
beta3-adrenergic receptor [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta3-adrenergic receptor
     Amibegron
      D08851  Amibegron hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
121524-09-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8y C    18.2639  -17.2135
            2   C8x C    18.2639  -15.8142
            3   C8x C    19.5233  -15.1145
            4   C8x C    20.7827  -15.8142
            5   C8y C    20.7827  -17.2135
            6   C8x C    19.5233  -17.9132
            7   X   Cl   17.0744  -17.9132
            8   C1c C    21.9721  -17.9132
            9   C1b C    23.1616  -17.2135
            10  N1b N    24.3510  -17.9132
            11  O1a O    21.9022  -19.3125
            12  C1y C    25.5405  -17.2135
            13  C1x C    26.7299  -17.9132
            14  C8y C    27.9194  -17.2135
            15  C8y C    27.9194  -15.8142
            16  C1x C    26.7999  -15.1145
            17  C1x C    25.5405  -15.8142
            18  C8x C    29.1088  -17.9132
            19  C8y C    30.3682  -17.2135
            20  C8x C    30.3682  -15.8142
            21  C8x C    29.1788  -15.1145
            22  O2a O    31.5577  -17.9132
            23  C1b C    32.7471  -17.2135
            24  C7a C    33.9366  -17.9132
            25  O7a O    35.1960  -17.2835
            26  O6a O    33.9366  -19.3825
            27  C1b C    36.3854  -17.9832
            28  C1a C    37.5749  -17.2835
            29  X   Cl   26.3101  -21.4116
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     1   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11    8  11 1 #Down
            12   12  10 1 #Up
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   14  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   15  21 2
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 2
            29   25  27 1
            30   27  28 1

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