KEGG   DRUG: BitolterolHelp
Entry
D07534                      Drug                                   

Name
Bitolterol (INN)
Formula
C28H31NO5
Exact mass
461.2202
Mol weight
461.5494
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
 DG01951  Catecholamine adrenergic receptor agonist
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Bronchodilator, beta2-Adrenergic receptor agonist
Comment
Phenethylamine derivative
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Endocytosis
Adrenergic signaling in cardiomyocytes
Salivary secretion
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03A ADRENERGICS, INHALANTS
    R03AC Selective beta-2-adrenoreceptor agonists
     R03AC17 Bitolterol
      D07534  Bitolterol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Bitolterol
      D07534  Bitolterol (INN)
BRITE hierarchy
Other DBs
CAS: 
30392-40-6
PubChem: 
ChEBI: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C8y C    25.9700  -17.5700
            2   C1c C    27.1600  -18.2700
            3   C1b C    28.4200  -17.5700
            4   N1b N    29.6100  -18.2700
            5   C1d C    30.8000  -17.5700
            6   C8x C    25.9700  -16.1700
            7   C8x C    24.7800  -15.4700
            8   C8y C    23.5200  -16.1700
            9   C8y C    23.5200  -17.5700
            10  C8x C    24.7800  -18.2700
            11  O1a O    27.1600  -19.6700
            12  C1a C    32.0600  -16.8700
            13  O7a O    22.3300  -15.4700
            14  O7a O    22.3300  -18.2700
            15  C7a C    21.1400  -16.1700
            16  C8y C    19.9500  -15.4700
            17  C8x C    19.9500  -14.0700
            18  C8x C    18.6900  -13.3700
            19  C8y C    17.5000  -14.0700
            20  C8x C    17.5000  -15.4700
            21  C8x C    18.6900  -16.1700
            22  C1a C    16.3100  -13.3700
            23  O6a O    21.1400  -17.5700
            24  C7a C    22.3300  -19.6700
            25  C8y C    21.1400  -20.3700
            26  O6a O    23.5200  -20.3700
            27  C8x C    19.9500  -19.6700
            28  C8x C    18.6900  -20.3700
            29  C8y C    18.6900  -21.7700
            30  C8x C    19.8800  -22.4700
            31  C8x C    21.1400  -21.7700
            32  C1a C    17.5000  -22.4700
            33  C1a C    30.1000  -16.3800
            34  C1a C    31.5700  -18.7600
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    1  10 1
            11    2  11 1
            12    5  12 1
            13    8  13 1
            14    9  14 1
            15   13  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23   19  22 1
            24   15  23 2
            25   14  24 1
            26   24  25 1
            27   24  26 2
            28   25  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   25  31 1
            34   29  32 1
            35    5  33 1
            36    5  34 1

» Japanese version   » Back

DBGET integrated database retrieval system