KEGG   COMPOUND: C07503
Entry
C07503                      Compound                               
Name
Tiagabine
Formula
C20H25NO2S2
Exact mass
375.1327
Mol weight
375.548
Structure
Remark
Same as: D08588
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AG Fatty acid derivatives
     N03AG06 Tiagabine
      D08588  Tiagabine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02037  GABA mimetic antiepileptic
    DG00850  Tiagabine
     D08588  Tiagabine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A1 (GAT1)
     D08588  Tiagabine (INN)
Other DBs
CAS: 115103-54-3
PubChem: 9706
ChEBI: 9586
PDB-CCD: TGI[PDBj]
NIKKAJI: J390.632I
KCF data

ATOM        25
            1   C2c C    22.4077  -18.5378
            2   C8y C    21.1955  -19.2372
            3   C8y C    22.4077  -17.1332
            4   C2b C    23.6201  -19.2372
            5   C8y C    21.0555  -20.6244
            6   S2x S    19.9190  -18.6718
            7   C8y C    23.5442  -16.3171
            8   S2x S    21.2771  -16.3171
            9   C1b C    24.8266  -18.5378
            10  C8x C    19.6859  -20.9215
            11  C1a C    22.0989  -21.5628
            12  C8x C    18.9865  -19.7093
            13  C8x C    23.1131  -14.9825
            14  C1a C    24.8733  -16.7485
            15  C8x C    21.7083  -14.9825
            16  C1b C    26.0389  -19.2372
            17  N1y N    27.2513  -18.5378
            18  C1x C    27.2513  -17.1332
            19  C1x C    28.4693  -19.2372
            20  C1y C    28.4693  -16.4395
            21  C1x C    29.6700  -18.5378
            22  C1x C    29.6700  -17.1332
            23  C6a C    29.6700  -15.7227
            24  O6a O    30.8882  -16.4221
            25  O6a O    29.6584  -14.3238
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1 #Down
            23   23  24 1
            24   23  25 2
            25   10  12 2
            26   13  15 2
            27   21  22 1

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (7)   

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