KEGG   DRUG: Levalbuterol sulfate
Entry
D04701                      Drug                                   

Name
Levalbuterol sulfate (USAN)
Formula
C13H21NO3. H2SO4
Exact mass
337.1195
Mol weight
337.3892
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
Remark
Chemical structure group: DG01235
Product (DG01235): D02281<US> D04703<US>
Efficacy
Antiasthmatic, Bronchodilator, beta2-Adrenergic receptor agonist
Comment
Phenethylamine derivative
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D04701  Levalbuterol sulfate (USAN)
Other DBs
CAS: 148563-16-0
PubChem: 47206532
LigandBox: D04701
LinkDB
KCF data

ATOM        22
            1   C8y C     7.6206   -6.6429
            2   C8x C     6.4311   -7.3426
            3   C1c C     8.8100   -7.3426
            4   C8x C     7.6206   -5.2435
            5   C8y C     5.1716   -6.6429
            6   C1b C    10.0695   -6.6429
            7   O1a O     8.8100   -8.7420
            8   C8x C     6.4311   -4.5438
            9   C8y C     5.1716   -5.2435
            10  C1b C     3.9822   -7.3426
            11  N1b N    11.2590   -7.3426
            12  O1a O     3.9822   -4.5438
            13  O1a O     2.7927   -6.6429
            14  C1d C    12.4485   -6.6429
            15  C1a C    13.7079   -7.3426
            16  C1a C    12.4485   -5.2435
            17  C1a C    13.6603   -5.9432
            18  S4a S    19.6348   -6.8020
            19  O1d O    19.6348   -5.4067
            20  O1d O    19.6348   -8.1973
            21  O1d O    18.2395   -6.8020
            22  O1d O    21.0301   -6.8020
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   14  15 1
            15   14  16 1
            16    8   9 2
            17   14  17 1
            18   18  19 2
            19   18  20 2
            20   18  21 1
            21   18  22 1

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