KEGG   DRUG: D02073Help
Entry
D02073                      Drug                                   

Name
Gemeprost (JAN/USAN/INN);
Preglandin (TN)
Formula
C23H38O5
Exact mass
394.2719
Mol weight
394.5448
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Prostaglandin
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
prostaglandin E1 receptor agonist [HSA:5731] [KO:K04258]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug interaction
Structure map
Prostaglandins
Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02A UTEROTONICS
    G02AD Prostaglandins
     G02AD03 Gemeprost
      D02073  Gemeprost (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D02073  Gemeprost (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    prostaglandin E1 receptor
     Gemeprost
      D02073  Gemeprost (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
64318-79-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1y C    17.2205  -14.2329
            2   C1y C    17.2205  -15.6359
            3   C5x C    15.8642  -13.8119
            4   C1b C    18.4365  -13.1813
            5   C1y C    15.8642  -16.1036
            6   C2b C    18.4365  -16.6875
            7   C1x C    15.0691  -14.9812
            8   O5x O    15.4432  -12.5023
            9   O1a O    15.4432  -17.4132
            10  C2b C    19.6526  -15.9859
            11  C1c C    20.8686  -16.6875
            12  C1d C    22.0846  -15.9859
            13  C1b C    23.3006  -16.6875
            14  C1b C    24.5166  -15.9859
            15  C1b C    25.7326  -16.6875
            16  C1a C    26.9486  -15.9859
            17  C1b C    19.6302  -13.8642
            18  C1b C    20.8445  -13.1631
            19  C1b C    22.0588  -13.8642
            20  C2b C    23.2731  -13.1631
            21  C2b C    24.4874  -13.8642
            22  C7a C    25.7017  -13.1631
            23  O7a O    26.9160  -13.8642
            24  O1a O    20.8685  -18.0977
            25  C1a C    23.0692  -15.0157
            26  C1a C    21.1079  -15.0157
            27  O6a O    25.7019  -11.7474
            28  C1a C    28.1226  -13.1674
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     5   9 1 #Down
            9     6  10 2
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16    5   7 1
            17    4  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 1
            24   11  24 1 #Down
            25   12  25 1
            26   12  26 1
            27   22  27 2
            28   23  28 1

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