KEGG   DRUG: Ciprostene calcium
Entry
D03522                      Drug                                   

Name
Ciprostene calcium (USAN)
Formula
(C22H35O4)2. Ca
Exact mass
766.4697
Mol weight
767.0998
Structure
Class
Cardiovascular agent
 DG01810  Prostacycline derivative
Other
 DG01961  Prostaglandin derivative
  DG01810  Prostacycline derivative
 DG02573  Prostanoid derivative
  DG01961  Prostaglandin derivative
   DG01810  Prostacycline derivative
Efficacy
Platelet aggregation inhibitor
Comment
Prostacycline derivative
Target
PTGIR [HSA:5739] [KO:K04263]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04611  Platelet activation
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    PTGIR
     D03522  Ciprostene calcium (USAN)
Other DBs
CAS: 81703-55-1
PubChem: 47205845
ChEMBL: CHEMBL2106497
LigandBox: D03522
KCF data

ATOM        53
            1   Z   Ca   28.0000  -28.4900 #2+
            2   C1y C    37.7300  -36.2600
            3   C1y C    37.7300  -34.8600
            4   C1z C    36.4000  -34.4400
            5   C1x C    35.5600  -35.5600
            6   C1y C    36.4000  -36.6800
            7   C1x C    38.5700  -33.7400
            8   C2y C    37.7300  -32.6200
            9   C1x C    36.4000  -33.0400
            10  C2b C    38.9200  -36.9600
            11  C2b C    40.1800  -36.2600
            12  C1c C    41.3700  -36.9600
            13  C1b C    42.5600  -36.2600
            14  C1b C    43.8200  -36.9600
            15  C1b C    45.0100  -36.2600
            16  C1b C    46.2000  -36.9600
            17  C1a C    47.4600  -36.2600
            18  C2b C    38.1500  -31.2900
            19  C1b C    37.2400  -30.2400
            20  C1b C    35.8400  -30.5200
            21  C1b C    34.9300  -29.4700
            22  C6a C    33.5300  -29.7500
            23  O6a O    32.6200  -28.7000 #-
            24  O1a O    35.9800  -38.0100
            25  C1a C    35.2100  -33.7400
            26  O6a O    33.1100  -31.0800
            27  O1a O    41.3700  -38.3600
            28  C1y C    37.7300  -36.2600
            29  C1y C    37.7300  -34.8600
            30  C1z C    36.4000  -34.4400
            31  C1x C    35.5600  -35.5600
            32  C1y C    36.4000  -36.6800
            33  O1a O    35.9800  -38.0100
            34  C1x C    36.4000  -33.0400
            35  C2y C    37.7300  -32.6200
            36  C1x C    38.5700  -33.7400
            37  C2b C    38.1500  -31.2900
            38  C1b C    37.2400  -30.2400
            39  C1b C    35.8400  -30.5200
            40  C1b C    34.9300  -29.4700
            41  C6a C    33.5300  -29.7500
            42  O6a O    32.6200  -28.7000 #-
            43  O6a O    33.1100  -31.0800
            44  C1a C    35.2100  -33.7400
            45  C2b C    38.9200  -36.9600
            46  C2b C    40.1800  -36.2600
            47  C1c C    41.3700  -36.9600
            48  C1b C    42.5600  -36.2600
            49  C1b C    43.8200  -36.9600
            50  C1b C    45.0100  -36.2600
            51  C1b C    46.2000  -36.9600
            52  C1a C    47.4600  -36.2600
            53  O1a O    41.3700  -38.3600
BOND        54
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   6 1
            6     3   7 1 #Down
            7     7   8 1
            8     8   9 1
            9     4   9 1
            10    2  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    8  18 2
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24    6  24 1 #Down
            25    4  25 1 #Up
            26   22  26 2
            27   12  27 1 #Down
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   28  32 1
            33   29  36 1 #Down
            34   36  35 1
            35   35  34 1
            36   30  34 1
            37   28  45 1 #Up
            38   45  46 2
            39   46  47 1
            40   47  48 1
            41   48  49 1
            42   49  50 1
            43   50  51 1
            44   51  52 1
            45   35  37 2
            46   37  38 1
            47   38  39 1
            48   39  40 1
            49   40  41 1
            50   41  42 1
            51   32  33 1 #Down
            52   30  44 1 #Up
            53   41  43 2
            54   47  53 1 #Down
BRACKET     1    31.4300  -39.4100   31.4300  -27.6500
            1    49.6300  -27.6500   49.6300  -39.4100
            1  2
 ORIGINAL  1    2   3   4   5   6  24   9   8   7  18  19  20  21  22  23  26
            1   25  10  11  12  13  14  15  16  17  27
 REPEAT    1   28  29  30  31  32  33  34  35  36  37  38  39  40  41  42  43
            1   44  45  46  47  48  49  50  51  52  53

» Japanese version   » Back

DBGET integrated database retrieval system