KEGG   DRUG: Picumeterol fumarateHelp
Entry
D05476                      Drug                                   

Name
Picumeterol fumarate (USAN)
Formula
(C21H29Cl2N3O2)2. C4H4O4
Exact mass
966.3383
Mol weight
968.8319
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
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
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Picumeterol
      D05476  Picumeterol fumarate (USAN)
BRITE hierarchy
Other DBs
CAS: 
130641-37-1
PubChem: 
LigandBox: 
KCF data Show

ATOM        64
            1   C6a C    31.8025  -23.4546
            2   C2b C    33.0232  -24.1622
            3   O6a O    30.5820  -24.1622
            4   O6a O    31.8025  -22.0456
            5   C2b C    34.2494  -23.4546
            6   C6a C    35.4699  -24.1622
            7   O6a O    36.6904  -23.4546
            8   O6a O    35.4699  -25.5713
            9   C8y C    16.4934  -17.0446
            10  C8y C    16.4934  -18.4478
            11  C8x C    17.6861  -19.2196
            12  C8y C    18.8789  -18.4478
            13  C8x C    18.8789  -17.0446
            14  C8y C    17.6861  -16.3429
            15  X   Cl   17.6861  -14.9397
            16  N1a N    15.2304  -16.3429
            17  X   Cl   15.2304  -19.2196
            18  C1c C    20.1418  -19.2196
            19  C1b C    21.3346  -18.5180
            20  N1b N    22.5274  -19.1494
            21  O1a O    20.1418  -20.6229
            22  C1b C    23.7903  -18.5180
            23  C1b C    24.9831  -19.1494
            24  C1b C    26.1759  -18.5180
            25  C1b C    27.3686  -19.1494
            26  C1b C    28.5614  -18.5180
            27  C1b C    29.7542  -19.1494
            28  O2a O    30.9469  -18.5180
            29  C1b C    32.1397  -19.1494
            30  C1b C    33.3325  -18.5180
            31  C8y C    34.5252  -19.1494
            32  C8x C    34.5252  -20.6229
            33  C8x C    35.7882  -21.3245
            34  C8x C    36.9810  -20.6229
            35  C8x C    36.9810  -19.1494
            36  N5x N    35.7882  -18.4478
            37  C8y C    16.4934  -17.0446
            38  C8y C    16.4934  -18.4478
            39  C8x C    17.6861  -19.2196
            40  C8y C    18.8789  -18.4478
            41  C8x C    18.8789  -17.0446
            42  C8y C    17.6861  -16.3429
            43  X   Cl   17.6861  -14.9397
            44  C1c C    20.1418  -19.2196
            45  C1b C    21.3346  -18.5180
            46  N1b N    22.5274  -19.1494
            47  C1b C    23.7903  -18.5180
            48  C1b C    24.9831  -19.1494
            49  C1b C    26.1759  -18.5180
            50  C1b C    27.3686  -19.1494
            51  C1b C    28.5614  -18.5180
            52  C1b C    29.7542  -19.1494
            53  O2a O    30.9469  -18.5180
            54  C1b C    32.1397  -19.1494
            55  C1b C    33.3325  -18.5180
            56  C8y C    34.5252  -19.1494
            57  C8x C    34.5252  -20.6229
            58  C8x C    35.7882  -21.3245
            59  C8x C    36.9810  -20.6229
            60  C8x C    36.9810  -19.1494
            61  N5x N    35.7882  -18.4478
            62  O1a O    20.1418  -20.6229
            63  X   Cl   15.2304  -19.2196
            64  N1a N    15.2304  -16.3429
BOND        65
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13    9  14 1
            14   14  15 1
            15    9  16 1
            16   10  17 1
            17   12  18 1
            18   18  19 1
            19   19  20 1
            20   18  21 1 #Down
            21   20  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 2
            32   32  33 1
            33   33  34 2
            34   34  35 1
            35   35  36 2
            36   31  36 1
            37   37  38 2
            38   38  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   37  42 1
            43   42  43 1
            44   37  64 1
            45   38  63 1
            46   40  44 1
            47   44  45 1
            48   45  46 1
            49   44  62 1 #Down
            50   46  47 1
            51   47  48 1
            52   48  49 1
            53   49  50 1
            54   50  51 1
            55   51  52 1
            56   52  53 1
            57   53  54 1
            58   54  55 1
            59   55  56 1
            60   56  57 2
            61   57  58 1
            62   58  59 2
            63   59  60 1
            64   60  61 2
            65   56  61 1
BRACKET     1    13.6500  -21.6300   13.6500  -14.4900
            1    37.1000  -14.4900   37.1000  -21.6300
            1  2
 ORIGINAL  1    9  10  11  12  13  14  15  18  19  20  22  23  24  25  26  27
            1   28  29  30  31  32  33  34  35  36  21  17  16
 REPEAT    1   37  38  39  40  41  42  43  44  45  46  47  48  49  50  51  52
            1   53  54  55  56  57  58  59  60  61  62  63  64

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