KEGG   DRUG: D06280Help
Entry
D06280                      Drug                                   

Name
Vapiprost hydrochloride (JAN/USAN)
Formula
C30H39NO4. HCl
Exact mass
513.2646
Mol weight
514.0959
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antagonist [thromboxane A2]
Remark
Drug group: 
Target
thromboxane A2 (TXA2) receptor antagonist [HSA:6915] [KO:K04264]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thromboxane
    thromboxane A2 (TXA2) receptor
     Vapiprost
      D06280  Vapiprost hydrochloride (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
87248-13-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        36
            1   X   Cl   24.4238  -28.9328
            2   C1y C     9.5900  -26.4600
            3   C1x C    10.4300  -27.5800
            4   C1y C    11.6900  -27.0900
            5   C1y C    11.6900  -25.6900
            6   C1y C    10.3600  -25.2700
            7   O2a O    12.8800  -27.7900
            8   C1b C    14.0700  -27.0900
            9   C8y C    15.2600  -27.7900
            10  C8x C    15.2600  -29.1900
            11  C8x C    16.5200  -29.8900
            12  C8y C    17.7100  -29.1900
            13  C8x C    17.7100  -27.7900
            14  C8x C    16.5200  -27.0900
            15  C8y C    18.9000  -29.8900
            16  C8x C    18.9000  -31.2900
            17  C8x C    20.1600  -31.9900
            18  C8x C    21.3500  -31.2900
            19  C8x C    21.3500  -29.8900
            20  C8x C    20.1600  -29.1900
            21  C1b C    12.8800  -24.9900
            22  C1b C    14.0700  -25.6900
            23  C2b C    15.2600  -24.9900
            24  C2b C    16.6600  -24.9900
            25  C1b C    17.8500  -25.6900
            26  C1b C    19.0400  -24.9900
            27  C6a C    20.2300  -25.6900
            28  O6a O    21.4200  -24.9900
            29  O6a O    20.2300  -27.0900
            30  N1y N     9.8861  -23.9526
            31  C1x C    10.7895  -22.8843
            32  C1x C    10.3156  -21.5669
            33  C1x C     8.9378  -21.3186
            34  C1x C     8.0344  -22.3870
            35  C1x C     8.5083  -23.7044
            36  O1a O     8.1908  -26.5084
BOND        38
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   6 1
            6     4   7 1 #Up
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    9  14 1
            15   12  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   21  22 1
            23    5  21 1 #Up
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   27  29 2
            31    6  30 1 #Down
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   30  35 1
            38    2  36 1 #Down

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