KEGG   DRUG: Limaprost alfadexHelp
Entry
D02860                      Drug                                   

Name
Limaprost alfadex (JP17);
Opalmon (TN)
Formula
(C36H60O30)x. C22H36O5
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01611  Prostaglandin E1 derivative
Other
 DG01961  Prostaglandin derivative
  DG01611  Prostaglandin E1 derivative
Unclassified
 DG02573  Prostanoid derivative
  DG01961  Prostaglandin derivative
   DG01611  Prostaglandin E1 derivative
Remark
Therapeutic category: 
Chemical group: 
Efficacy
Vasodilator, Prostaglandin E1 receptor agonist
Comment
Prostaglandin E1 derivative
Target
PTGER1 [HSA:5731] [KO:K04258]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
Prostaglandins
Eicosanoid receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   339  Miscellaneous
    3399  Others
     D02860  Limaprost alfadex (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    Prostaglandin E2 receptor EP1 subtype
     Limaprost
      D02860  Limaprost alfadex (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02860  Limaprost alfadex
BRITE hierarchy
Other DBs
CAS: 
88852-12-4
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        93
            1   C1y C     7.8056  -15.5840
            2   C1y C     7.8056  -14.1803
            3   C5x C     6.4721  -13.7592
            4   C1x C     5.6299  -14.8821
            5   C1y C     6.4721  -16.0051
            6   O5x O     6.0510  -12.4258
            7   O1a O     6.0510  -17.3385
            8   C1b C     8.9987  -13.4785
            9   C1b C    10.2620  -14.1803
            10  C1b C    11.4551  -13.4785
            11  C1b C    12.6482  -14.1803
            12  C2b C    13.9114  -13.4785
            13  C2b C    15.1045  -14.1803
            14  C6a C    16.2976  -13.4785
            15  O6a O    17.5609  -14.1803
            16  C2b C     8.9987  -16.2858
            17  C2b C    10.2620  -15.5840
            18  C1c C    11.4551  -16.2858
            19  C1b C    12.6482  -15.5840
            20  C1c C    13.9114  -16.2858
            21  C1b C    15.1045  -15.5840
            22  C1b C    16.2976  -16.2858
            23  C1b C    17.5609  -15.5840
            24  C1a C    18.7540  -16.2858
            25  O6a O    16.2976  -12.0748
            26  O1a O    11.4551  -17.6894
            27  C1a C    13.9114  -17.6894
            28  C1y C    35.0700  -11.9700
            29  C1y C    33.7400  -11.9700
            30  O2x O    33.0400  -13.1600
            31  C1y C    33.7400  -14.2800
            32  C1y C    35.0700  -14.2800
            33  C1y C    35.7700  -13.0900
            34  O2x O    33.7400  -17.0100
            35  C1y C    35.0700  -17.0100
            36  O2a O    35.7700  -15.6100
            37  C1y C    33.0400  -18.2000
            38  C1y C    33.7400  -19.3900
            39  C1y C    35.0700  -19.3900
            40  C1y C    35.7700  -18.2000
            41  O1a O    37.1000  -13.0900
            42  O1a O    35.7700  -20.5800
            43  O1a O    35.7700  -10.7800
            44  O1a O    37.1000  -18.2000
            45  O2a O    33.0400  -10.7800
            46  C1y C    31.2200  -10.7800
            47  C1y C    30.4500  -11.9700
            48  O2x O    30.5200  -19.3900
            49  C1y C    31.2200  -20.5800
            50  O2a O    33.1100  -20.5800
            51  C1y C    30.4500   -9.5900
            52  C1y C    29.1200   -9.5900
            53  C1y C    28.4200  -10.7800
            54  O2x O    29.1200  -11.9700
            55  C1y C    29.1900  -19.3900
            56  C1y C    28.4900  -20.5800
            57  C1y C    29.1900  -21.7700
            58  C1y C    30.5200  -21.7700
            59  O1a O    31.2200  -22.9600
            60  O1a O    28.4200   -8.4000
            61  O1a O    31.1500   -8.4000
            62  O2a O    26.6000  -10.7800
            63  O1a O    28.4900  -22.9600
            64  O2a O    26.6700  -20.5800
            65  O2x O    26.6700  -18.2700
            66  C1y C    26.0400  -19.4600
            67  C1y C    26.0400  -11.9700
            68  C1y C    26.6700  -13.1600
            69  C1y C    24.6400  -11.9700
            70  C1y C    24.0100  -13.1600
            71  C1y C    24.6400  -14.3500
            72  O2x O    26.0400  -14.3500
            73  C1y C    26.0400  -17.0800
            74  C1y C    24.6400  -17.0800
            75  C1y C    24.0100  -18.2700
            76  C1y C    24.6400  -19.4600
            77  O1a O    24.0100  -10.7800
            78  O2a O    23.9400  -15.7500
            79  O1a O    22.6100  -18.2700
            80  O1a O    22.6100  -13.1600
            81  O1a O    24.0100  -20.6500
            82  C1b C    28.4200  -18.2000
            83  C1b C    26.7400  -15.8900
            84  C1b C    28.0000  -13.1600
            85  C1b C    31.1500  -13.1600
            86  C1b C    33.0400  -15.5400
            87  C1b C    31.6400  -18.2000
            88  O1a O    29.1900  -17.1500
            89  O1a O    28.1400  -15.8900
            90  O1a O    28.7000  -14.3500
            91  O1a O    30.8000  -14.5600
            92  O1a O    31.7100  -15.6100
            93  O1a O    30.9400  -16.9400
BOND        99
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 2
            7     5   7 1 #Down
            8     2   8 1 #Down
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16    1  16 1 #Up
            17   16  17 2
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   14  25 2
            26   18  26 1 #Down
            27   20  27 1 #Down
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   28  33 1
            34   34  35 1
            35   35  36 1 #Down
            36   32  36 1 #Down
            37   34  37 1
            38   37  38 1
            39   38  39 1
            40   39  40 1
            41   35  40 1
            42   33  41 1 #Up
            43   39  42 1 #Up
            44   28  43 1 #Down
            45   40  44 1 #Down
            46   29  45 1 #Down
            47   46  45 1 #Down
            48   46  47 1
            49   49  48 1
            50   49  50 1 #Down
            51   38  50 1 #Down
            52   46  51 1
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   47  54 1
            57   48  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   49  58 1
            62   58  59 1 #Down
            63   52  60 1 #Down
            64   51  61 1 #Up
            65   53  62 1 #Down
            66   57  63 1 #Up
            67   56  64 1 #Down
            68   65  66 1
            69   66  64 1 #Down
            70   67  62 1 #Down
            71   67  68 1
            72   67  69 1
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   68  72 1
            77   65  73 1
            78   73  74 1
            79   74  75 1
            80   75  76 1
            81   66  76 1
            82   69  77 1 #Up
            83   71  78 1 #Down
            84   74  78 1 #Down
            85   75  79 1 #Up
            86   70  80 1 #Down
            87   76  81 1 #Down
            88   55  82 1 #Up
            89   73  83 1 #Up
            90   68  84 1 #Up
            91   47  85 1 #Up
            92   31  86 1 #Up
            93   37  87 1 #Up
            94   82  88 1
            95   83  89 1
            96   84  90 1
            97   85  91 1
            98   86  92 1
            99   87  93 1
BRACKET     1    21.0000  -22.5400   21.0000   -7.4200
            1    38.0800   -7.4200   38.0800  -22.5400
            1  x
 ORIGINAL  1   28  29  30  31  32  33  34  35  36  37  38  39  40  41  42  43
            1   44  45  46  47  48  49  50  51  52  53  54  55  56  57  58  59
            1   60  61  62  63  64  65  66  67  68  69  70  71  72  73  74  75
            1   76  77  78  79  80  81  82  83  84  85  86  87  88  89  90  91
            1   92  93
 REPEAT    1

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