KEGG   DRUG: D03155Help
Entry
D03155                      Drug                                   

Name
Bretazenil (USAN/INN)
Formula
C19H20BrN3O3
Exact mass
417.0688
Mol weight
418.2844
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-anxiety agent
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  
 
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor (benzodiazepine binding site)
     Bretazenil
      D03155  Bretazenil (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
84379-13-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8y C    24.2878  -16.0378
            2   N4y N    25.5353  -15.4094
            3   C8y C    26.8121  -15.9871
            4   C1y C    27.1526  -17.3358
            5   C8y C    24.0069  -17.4193
            6   N1y N    26.3105  -18.4585
            7   C5x C    24.9087  -18.4919
            8   C1x C    27.1184  -19.6062
            9   C1x C    28.4593  -19.1928
            10  C1x C    28.4805  -17.7895
            11  C8x C    23.2385  -15.1096
            12  C8x C    21.9101  -15.5544
            13  C8x C    21.6292  -16.9359
            14  C8y C    22.6786  -17.8640
            15  C8y C    27.7560  -14.9511
            16  N5x N    27.0626  -13.7334
            17  C8x C    25.6901  -14.0167
            18  O5x O    24.3436  -19.7442
            19  X   Br   22.3997  -19.2354
            20  C7a C    29.1349  -14.9642
            21  O7a O    29.7164  -13.6902
            22  O6a O    29.8216  -16.1745
            23  C1d C    31.1174  -13.6902
            24  C1a C    32.5182  -13.6902
            25  C1a C    31.1178  -12.2579
            26  C1a C    31.1170  -15.0595
BOND        29
            1     3   4 1
            2     1   5 1
            3     2   3 1
            4     5   7 1
            5     1   2 1
            6     6   7 1
            7     6   4 1
            8     6   8 1
            9     8   9 1
            10    9  10 1
            11    4  10 1
            12    1  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    5  14 2
            17    3  15 2
            18   15  16 1
            19   16  17 2
            20    2  17 1
            21    7  18 2
            22   14  19 1
            23   15  20 1
            24   20  21 1
            25   20  22 2
            26   21  23 1
            27   23  24 1
            28   23  25 1
            29   23  26 1

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