KEGG   DRUG: D01188Help
Entry
D01188                      Drug                                   
Name
Pimilprost (JAN/INN)
Formula
C23H40O5
Exact mass
396.2876
Mol weight
396.5607
Structure
Mol fileKCF fileDB searchJmolKegDraw
Target
prostaglandin I2 receptor agonist [HSA:5739] [KO:K04263]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Interaction
Drug interaction
Structure map
Eicosanoid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    prostaglandin I2 receptor [HSA:5739] [KO:K04263]
     Pimilprost
      D01188  Pimilprost (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
139403-31-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1x C    20.7517  -18.2409
            2   C1y C    19.6150  -17.4141
            3   C1x C    18.4784  -18.2409
            4   C1y C    20.3155  -19.5726
            5   C1y C    18.9115  -19.5683
            6   C1x C    18.4735  -20.9025
            7   C1y C    19.6072  -21.7310
            8   C1y C    20.7456  -20.9092
            9   C1b C    19.6150  -16.0130
            10  C1b C    20.8285  -15.3124
            11  O2a O    22.0418  -16.0130
            12  C1b C    23.2552  -15.3124
            13  C7a C    24.4687  -16.0128
            14  O7a O    25.6820  -15.3122
            15  O6a O    24.4687  -17.4139
            16  C1a C    26.8955  -16.0128
            17  C2b C    21.9504  -21.5963
            18  C2b C    23.1605  -20.8957
            19  C1c C    24.3705  -21.5894
            20  C1b C    25.5806  -20.8888
            21  C1c C    26.7907  -21.5822
            22  C1b C    28.0008  -20.8817
            23  C1b C    29.2109  -21.5751
            24  C1b C    30.4209  -20.8745
            25  C1a C    31.6310  -21.5681
            26  O1a O    19.6029  -23.1321
            27  O1a O    24.3736  -22.9905
            28  C1a C    26.7938  -22.9834
BOND        29
            1     5   6 1
            2    13  15 2
            3     6   7 1
            4    14  16 1
            5     7   8 1
            6     8  17 1 #Up
            7     8   4 1
            8    17  18 2
            9    18  19 1
            10    2   9 1 #Up
            11   19  20 1
            12    4   1 1
            13   20  21 1
            14    9  10 1
            15   21  22 1
            16    1   2 1
            17   22  23 1
            18   10  11 1
            19   23  24 1
            20    2   3 1
            21   24  25 1
            22   11  12 1
            23    7  26 1 #Down
            24    3   5 1
            25   12  13 1
            26    4   5 1
            27   19  27 1 #Down
            28   13  14 1
            29   21  28 1 #Down

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