KEGG   DRUG: SulprostoneHelp
Entry
D02725                      Drug                                   

Name
Sulprostone (USAN/INN)
Formula
C23H31NO7S
Exact mass
465.1821
Mol weight
465.5597
Structure
Mol fileKCF fileDB search
Class
Other
 DG01961  Prostaglandin derivative
  DG01959  Prostaglandin E2 derivative
 DG02573  Prostanoid derivative
  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
Drug 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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D02725  Sulprostone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 60325-46-4
PubChem: 17396892
ChEMBL: CHEMBL1472830
LigandBox: D02725
NIKKAJI: J18.517E
LinkDB All DBs
KCF data Show

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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