KEGG   DRUG: D02720Help
Entry
D02720                      Drug                                   
Name
Beraprost (USAN)
Formula
C24H30O5
Exact mass
398.2093
Mol weight
398.492
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Platelet aggregation inhibitor
Remark
ATC code: 
Comment
Prostaglandin I2 derivative
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
Eicosanoids
Antithrombosis agents
Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC19 Beraprost
      D02720  Beraprost (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    prostaglandin I2 receptor [HSA:5739] [KO:K04263]
     Beraprost [ATC:B01AC19]
      D02720  Beraprost (USAN)
BRITE hierarchy
Other DBs
CAS: 
88430-50-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8y C    18.5461  -16.8278
            2   C8y C    19.2442  -18.0844
            3   C8x C    20.7103  -18.0844
            4   C8x C    21.4084  -16.8278
            5   C8x C    20.6405  -15.5712
            6   C8y C    19.2442  -15.5712
            7   C1y C    18.5461  -19.2712
            8   C1y C    17.2197  -18.8524
            9   C1y C    18.5461  -20.6675
            10  O2x O    17.2197  -17.4561
            11  C1x C    16.4517  -19.9694
            12  C1y C    17.2895  -21.0864
            13  C2b C    19.7329  -21.3656
            14  O1a O    16.8008  -22.4826
            15  C2b C    20.9197  -20.6675
            16  C1c C    22.1065  -21.3656
            17  C1c C    23.2934  -20.6675
            18  O1a O    22.1065  -22.7619
            19  C1b C    24.4802  -21.3656
            20  C3b C    25.7369  -20.6675
            21  C1a C    23.2934  -19.2712
            22  C1b C    18.5461  -14.3844
            23  C3b C    26.9237  -19.9694
            24  C1a C    28.1105  -19.2712
            25  C1b C    17.1499  -14.3844
            26  C1b C    16.4517  -13.1976
            27  C6a C    15.0555  -13.1976
            28  O6a O    14.3574  -12.0107
            29  O6a O    14.3574  -14.3844
BOND        31
            1     7   9 1
            2     7   2 1 #Down
            3     8  10 1 #Down
            4     8  11 1
            5     9  12 1
            6     9  13 1 #Up
            7    12  14 1 #Down
            8    13  15 2
            9    15  16 1
            10   16  17 1
            11   16  18 1 #Down
            12   17  19 1
            13   19  20 1
            14   10   1 1
            15   11  12 1
            16    5   6 2
            17   17  21 1
            18    6   1 1
            19    6  22 1
            20    1   2 2
            21    2   3 1
            22    3   4 2
            23    4   5 1
            24   20  23 3
            25    7   8 1
            26   23  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2

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