KEGG   DRUG: D02546Help
Entry
D02546                      Drug                                   

Name
Kainic acid hydrate (JP16);
Digenin (TN)
Formula
C10H15NO4. H2O
Exact mass
231.1107
Mol weight
231.2457
Structure
Mol fileKCF fileDB searchJmolKegDraw
Source
Digenea simplex
Activity
Anthelmintic
Target
kainate receptor agonist [HSA:2897 2898 2899 2900 2901] [KO:K05201 K05202 K05203 K05204 K05205]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse  
 
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Kainic acid
    D02546  Kainic acid hydrate (JP16)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Glutamate-gated cation channels
   Glutamate (ionotropic), non-NMDA
    kainate receptor
     Kainic acid
      D02546  Kainic acid hydrate (JP16)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02546  Kainic acid hydrate
BRITE hierarchy
Other DBs
CAS: 
487-79-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   O0  O    38.0664  -18.8631
            2   N1x N    30.8000  -21.7700
            3   C1x C    32.2000  -21.7700
            4   C1y C    32.6326  -20.4385
            5   C1y C    31.5000  -19.6156
            6   C1y C    30.3674  -20.4385
            7   C1b C    31.5000  -17.2900
            8   C6a C    32.7124  -16.5900
            9   O6a O    33.9079  -17.2804
            10  O6a O    32.7125  -15.1902
            11  C1a C    35.0575  -20.4385
            12  C2c C    33.8451  -19.7385
            13  C6a C    29.1549  -19.7385
            14  O6a O    27.9425  -20.4385
            15  O6a O    29.1549  -18.3404
            16  C2a C    33.8451  -18.3404
BOND        15
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   6 1
            6     5   7 1 #Up
            7     7   8 1
            8     8   9 1
            9     8  10 2
            10   11  12 1
            11    4  12 1 #Up
            12    6  13 1 #Down
            13   13  14 1
            14   13  15 2
            15   12  16 2

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