KEGG   DRUG: Enisoprost
Entry
D03999                      Drug                                   
Name
Enisoprost (USAN/INN)
Formula
C22H36O5
Exact mass
380.2563
Mol weight
380.5182
Structure
Simcomp
Efficacy
Anti-ulcerative, Prostaglandin E1 receptor agonist
Comment
Prostaglandin derivative
Target
PTGER1 [HSA:5731] [KO:K04258]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER1
     D03999  Enisoprost (USAN/INN)
Other DBs
CAS: 81026-63-3
PubChem: 47205980
LigandBox: D03999
NIKKAJI: J348.426B
LinkDB
KCF data

ATOM        27
            1   C1y C    25.6618  -16.0706
            2   C1y C    25.6618  -14.6757
            3   C5x C    24.3352  -14.2447
            4   C1x C    23.5153  -15.3732
            5   C1y C    24.3352  -16.5017
            6   O5x O    23.9079  -12.9299
            7   O1a O    23.9079  -17.8164
            8   C1b C    26.8698  -13.1388
            9   C1b C    28.0779  -13.8363
            10  C2b C    26.8698  -17.6076
            11  C2b C    28.0779  -16.9101
            12  C1b C    29.2858  -17.6076
            13  C1d C    30.4938  -16.9101
            14  C1b C    31.7019  -17.6076
            15  C1b C    32.9098  -16.9101
            16  C1b C    34.1177  -17.6076
            17  C1a C    35.3258  -16.9101
            18  C2b C    29.3045  -13.1279
            19  C2b C    30.6994  -13.1279
            20  C1b C    31.8914  -13.8363
            21  C1b C    33.0994  -13.1388
            22  C7a C    34.3073  -13.8363
            23  O7a O    35.5153  -13.1388
            24  C1a C    36.7234  -13.8363
            25  O6a O    34.3073  -15.2311
            26  O1a O    31.4837  -15.9201
            27  C1a C    29.5038  -15.9201
BOND        27
            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    1  10 1 #Up
            11   10  11 2
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18    9  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   22  25 2
            26   13  26 1
            27   13  27 1

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