KEGG   DRUG: D05476Help
Entry
D05476                      Drug                                   

Name
Picumeterol fumarate (USAN)
Formula
(C21H29Cl2N3O2)2. C4H4O4
Exact mass
966.3383
Mol weight
968.8319
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator
Target
beta2-adrenergic receptor agonist [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04144  Endocytosis
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  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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