KEGG   DRUG: D08481Help
Entry
D08481                      Drug                                   
Name
Rilmazafone (INN)
Formula
C21H20Cl2N6O3
Exact mass
474.0974
Mol weight
475.3279
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Hypnotic
Comment
Benzodiazepines
Target
GABAA-receptor (benzodiazepine binding site) agonist [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05181 K05184 K05185 K05186 K05189 K05192]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse  
 
Structure map
Hypnotics
GABA-A receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor (benzodiazepine binding site) [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05176 K05177 K05178 K05179 K05180 K05181 K05182 K05183 K05184 K05185 K05186 K05187 K05188 K05189 K05192]
     Rilmazafone
      D08481  Rilmazafone (INN)
BRITE hierarchy
Other DBs
CAS: 
99593-25-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   N4y N    24.7800  -18.4100
            2   C8y C    23.5900  -19.2500
            3   N5x N    24.0100  -20.5800
            4   C8y C    25.4100  -20.5800
            5   N5x N    25.9000  -19.2500
            6   C8y C    24.7800  -17.0100
            7   C8y C    25.9700  -16.3100
            8   C8x C    25.9700  -14.9100
            9   C8y C    24.7800  -14.2100
            10  C8x C    23.5200  -14.9100
            11  C8x C    23.5200  -16.3100
            12  C1b C    22.4000  -18.5500
            13  C5a C    26.2500  -21.7000
            14  O5a O    25.6900  -23.0300
            15  C1a C    28.4900  -22.8900
            16  N1c N    27.6500  -21.7000
            17  C1a C    28.2100  -20.4400
            18  X   Cl   24.7800  -12.8100
            19  C5a C    27.1600  -17.0100
            20  O5a O    27.1600  -18.4100
            21  C8y C    28.3500  -16.3800
            22  C8x C    29.6100  -17.0800
            23  C8x C    30.8000  -16.3800
            24  C8x C    30.8000  -14.9800
            25  C8x C    29.6100  -14.2800
            26  C8y C    28.3500  -14.9800
            27  N1b N    21.2100  -19.3200
            28  C5a C    19.9500  -18.6200
            29  O5a O    19.9500  -17.2200
            30  C1b C    18.7600  -19.3900
            31  N1a N    17.5700  -18.6900
            32  X   Cl   27.1600  -14.2800
BOND        34
            1     4  13 1
            2     1   6 1
            3    16  17 1
            4     9  18 1
            5     7  19 1
            6    19  20 2
            7     2   3 2
            8    19  21 1
            9     1   2 1
            10    3   4 1
            11    4   5 2
            12    5   1 1
            13    2  12 1
            14   21  22 2
            15   22  23 1
            16   23  24 2
            17   24  25 1
            18   25  26 2
            19   26  21 1
            20    6   7 2
            21   12  27 1
            22    7   8 1
            23   27  28 1
            24    8   9 2
            25   28  29 2
            26    9  10 1
            27   28  30 1
            28   10  11 2
            29   30  31 1
            30   11   6 1
            31   26  32 1
            32   13  14 2
            33   15  16 1
            34   16  13 1

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