KEGG   DRUG: Sulprostone
Entry
D02725                      Drug                                   
Name
Sulprostone (USAN/INN)
Formula
C23H31NO7S
Exact mass
465.1821
Mol weight
465.5597
Structure
Class
Hormonal agent
 DG01961  Prostaglandin derivative
  DG01959  Prostaglandin E2 derivative
Remark
ATC code: G02AD05
Efficacy
Oxytocic, Prostaglandin E2 receptor agonist
Comment
Prostaglandin derivative
Target
PTGER2 [HSA:5732] [KO:K04259]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07035  Prostaglandins
map07228  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
     G02AD05 Sulprostone
      D02725  Sulprostone (USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01959  Prostaglandin E2 derivative
    D02725  Sulprostone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D02725  Sulprostone (USAN/INN)
Other DBs
CAS: 60325-46-4
PubChem: 17396892
LigandBox: D02725
NIKKAJI: J18.517E
LinkDB
KCF data

ATOM        32
            1   C1y C    15.1200  -12.1100
            2   C1y C    15.1200  -10.7100
            3   C5x C    13.7885  -10.2774
            4   C1x C    12.9656  -11.4100
            5   C1y C    13.7885  -12.5426
            6   C1b C    16.3324  -10.0100
            7   C2b C    17.5449  -10.7100
            8   C2b C    16.3324  -12.8100
            9   C2b C    17.5449  -12.1100
            10  C1c C    18.7573  -12.8100
            11  C1b C    19.9697  -12.1100
            12  O2a O    21.1822  -12.8100
            13  C8y C    21.1822  -14.2100
            14  C8x C    19.9908  -14.8981
            15  C8x C    19.9910  -16.2981
            16  C8x C    21.2036  -16.9979
            17  C8x C    22.3950  -16.3098
            18  C8x C    22.3947  -14.9098
            19  O1a O    18.7573  -14.2100
            20  C2b C    18.9449  -10.7100
            21  C1b C    20.1824  -10.0100
            22  C1b C    21.3949  -10.7100
            23  C1b C    22.6073  -10.0100
            24  C5a C    23.8197  -10.7100
            25  N1b N    25.0322  -10.0100
            26  S4a S    26.2446  -10.7100
            27  C1a C    27.4570  -10.0100
            28  O5a O    23.8197  -12.1099
            29  O3c O    25.2547  -11.6999
            30  O3c O    27.2346  -11.6999
            31  O5x O    13.3597   -8.9578
            32  O1a O    13.3597  -13.8622
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 1 #Down
            7     6   7 1
            8     1   8 1 #Up
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   10  19 1 #Down
            21    7  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   24  28 2
            30   26  29 2
            31   26  30 2
            32    3  31 2
            33    5  32 1 #Down

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