KEGG   DRUG: Papaverine sulfate
Entry
D07439                      Drug                                   

Name
Papaverine sulfate;
Papaverine SAD (TN)
Formula
(C20H21NO4)2. H2SO4
Exact mass
776.2615
Mol weight
776.8486
Structure
Remark
ATC code: A03AD01 G04BE02
Chemical structure group: DG00043
Product (DG00043): D02218<JP>
Efficacy
Antispasmodic, Smooth muscle relaxant, Vasodilator, Phosphodiesterase inhibitor
Comment
Papaverine derivative
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AD Papaverine and derivatives
     A03AD01 Papaverine
      D07439  Papaverine sulfate
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04B UROLOGICALS
    G04BE Drugs used in erectile dysfunction
     G04BE02 Papaverine
      D07439  Papaverine sulfate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE
     D07439  Papaverine sulfate
Other DBs
CAS: 32808-09-6
PubChem: 96024430
LigandBox: D07439
LinkDB
KCF data

ATOM        55
            1   C8y C    16.5900  -16.5200
            2   C8y C    16.5900  -15.1900
            3   C8y C    17.7800  -17.2200
            4   C8x C    15.4000  -17.2200
            5   C8x C    15.4000  -14.4900
            6   C8x C    17.8500  -14.4900
            7   C1b C    17.7800  -18.6200
            8   N5x N    19.0400  -16.5200
            9   C8y C    14.2100  -16.5200
            10  C8y C    14.2100  -15.1900
            11  C8x C    19.0400  -15.1900
            12  C8y C    19.0400  -19.3200
            13  O2a O    12.9500  -17.2200
            14  O2a O    12.9500  -14.4900
            15  C8x C    20.3000  -18.6200
            16  C8x C    19.0400  -20.7200
            17  C1a C    11.7600  -16.5200
            18  C1a C    11.7600  -15.1900
            19  C8y C    21.4900  -19.3200
            20  C8x C    20.2300  -21.4200
            21  C8y C    21.5600  -20.7200
            22  O2a O    22.6800  -18.5500
            23  O2a O    22.6800  -21.3500
            24  C1a C    23.8700  -19.2500
            25  C1a C    23.9400  -20.6500
            26  S4a S    31.7800  -18.0600
            27  O1d O    31.7800  -16.6600
            28  O1d O    31.7800  -19.4600
            29  O1d O    33.1800  -18.0600
            30  O1d O    30.3800  -18.0600
            31  C8y C    16.5900  -16.5200
            32  C8y C    16.5900  -15.1900
            33  C8x C    15.4000  -14.4900
            34  C8y C    14.2100  -15.1900
            35  O2a O    12.9500  -14.4900
            36  C1a C    11.7600  -15.1900
            37  C8y C    14.2100  -16.5200
            38  C8x C    15.4000  -17.2200
            39  O2a O    12.9500  -17.2200
            40  C1a C    11.7600  -16.5200
            41  C8x C    17.8500  -14.4900
            42  C8x C    19.0400  -15.1900
            43  N5x N    19.0400  -16.5200
            44  C8y C    17.7800  -17.2200
            45  C1b C    17.7800  -18.6200
            46  C8y C    19.0400  -19.3200
            47  C8x C    20.3000  -18.6200
            48  C8y C    21.4900  -19.3200
            49  C8y C    21.5600  -20.7200
            50  O2a O    22.6800  -21.3500
            51  C1a C    23.9400  -20.6500
            52  C8x C    20.2300  -21.4200
            53  C8x C    19.0400  -20.7200
            54  O2a O    22.6800  -18.5500
            55  C1a C    23.8700  -19.2500
BOND        58
            1    26  27 2
            2    26  28 2
            3    26  29 1
            4    26  30 1
            5     1   2 1
            6     1   3 1
            7     1   4 2
            8     2   5 2
            9     2   6 1
            10    3   7 1
            11    3   8 2
            12    4   9 1
            13    5  10 1
            14    6  11 2
            15    7  12 1
            16    9  13 1
            17   10  14 1
            18   12  15 1
            19   12  16 2
            20   13  17 1
            21   14  18 1
            22   15  19 2
            23   16  20 1
            24   19  21 1
            25   19  22 1
            26   21  23 1
            27    8  11 1
            28    9  10 2
            29   20  21 2
            30   22  24 1
            31   23  25 1
            32   31  32 1
            33   31  44 1
            34   31  38 2
            35   32  33 2
            36   32  41 1
            37   44  45 1
            38   44  43 2
            39   38  37 1
            40   33  34 1
            41   41  42 2
            42   45  46 1
            43   37  39 1
            44   34  35 1
            45   46  47 1
            46   46  53 2
            47   39  40 1
            48   35  36 1
            49   47  48 2
            50   53  52 1
            51   48  49 1
            52   48  54 1
            53   49  50 1
            54   43  42 1
            55   37  34 2
            56   52  49 2
            57   54  55 1
            58   50  51 1
BRACKET     1     9.1000  -22.1900    9.1000  -12.7400
            1    26.1800  -12.7400   26.1800  -22.1900
            1  2
 ORIGINAL  1    1   2   5  10  14  18   9   4  13  17   6  11   8   3   7  12
            1   15  19  21  23  25  20  16  22  24
 REPEAT    1   31  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46
            1   47  48  49  50  51  52  53  54  55

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