KEGG   DRUG: D08591Help
Entry
D08591                      Drug                                   

Name
Tiaprost (INN);
Iliren [veterinary] (TN)
Formula
C20H28O6S
Exact mass
396.1607
Mol weight
396.4977
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Prostaglandin
Comment
synthetic analogue of prostaglandin F2alpha [CPD:C00639]
Target
prostaglandin F receptor agonist [HSA:5737] [KO:K04262]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    prostaglandin F receptor
     Tiaprost
      D08591  Tiaprost (INN)
BRITE hierarchy
Other DBs
CAS: 
71116-82-0
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C1x C    12.7331  -15.3206
            2   C1y C    13.5055  -16.4440
            3   C1y C    14.8396  -15.9525
            4   C1y C    14.8396  -14.5482
            5   C1y C    13.5055  -14.1269
            6   C1b C    16.0332  -13.8461
            7   C2b C    17.2268  -14.5482
            8   C2b C    18.6311  -14.5482
            9   C1b C    19.8247  -13.8461
            10  C1b C    21.0184  -14.5482
            11  C1b C    22.2120  -13.8461
            12  C6a C    23.4057  -14.5482
            13  O6a O    24.5993  -13.8461
            14  O6a O    23.4057  -15.9525
            15  O1a O    13.0140  -12.7929
            16  O1a O    13.0842  -17.7781
            17  C2b C    16.0332  -16.6546
            18  C2b C    17.2268  -15.9525
            19  C1c C    18.4205  -16.6546
            20  C1b C    19.6141  -15.9525
            21  O2a O    20.8077  -16.6546
            22  O1a O    18.4205  -18.0589
            23  C8y C    22.0362  -17.3351
            24  C8x C    21.6064  -18.7044
            25  S2x S    22.7582  -19.5367
            26  C8x C    23.9058  -18.6985
            27  C8x C    23.4631  -17.3480
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 1
            7     4   6 1 #Down
            8     7   8 2
            9     9  10 1
            10    9   8 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2
            15    5  15 1 #Down
            16    2  16 1 #Down
            17    3  17 1 #Up
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   19  22 1
            23   21  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 1
            27   26  27 2
            28   23  27 1

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