KEGG   DRUG: D10186Help
Entry
D10186                      Drug                                   

Name
Bitopertin (JAN/USAN);
Paliflutine
Formula
C21H20F7N3O4S
Exact mass
543.1063
Mol weight
543.455
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of schizophrenia
Target
glycine transporter type 1 (GlyT1) inhibitor [HSA:6536] [KO:K05038]
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A9 (glycine transporter type 1) (GlyT1)
     Bitopertin
      D10186  Bitopertin (USAN)
BRITE hierarchy
Other DBs
CAS: 
845614-11-1
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        36
            1   C8y C    13.1600  -17.8500
            2   C8x C    13.1600  -16.4500
            3   C8x C    14.3500  -15.7500
            4   C8y C    15.6100  -16.4500
            5   C8y C    15.6100  -17.8500
            6   C8x C    14.3500  -18.5500
            7   S4a S    11.9700  -18.5500
            8   C5a C    16.8000  -18.5500
            9   N1y N    17.9900  -17.8500
            10  C1x C    17.9900  -16.4500
            11  C1x C    19.2500  -15.7500
            12  N1y N    20.4400  -16.4500
            13  C1x C    20.4400  -17.8500
            14  C1x C    19.2500  -18.5500
            15  C8y C    21.6300  -15.7500
            16  N5x N    21.6300  -14.3500
            17  C8x C    22.8900  -13.6500
            18  C8y C    24.0800  -14.3500
            19  C8x C    24.0800  -15.7500
            20  C8y C    22.8900  -16.4500
            21  C1d C    25.2700  -13.6500
            22  X   F    25.9700  -14.8400
            23  X   F    24.5700  -12.4600
            24  X   F    26.5300  -12.9500
            25  X   F    22.8900  -17.8500
            26  O5a O    16.8000  -19.9500
            27  O2a O    16.8000  -15.7500
            28  C1c C    16.8000  -14.3500
            29  C1a C    10.7576  -19.2500
            30  O3c O    11.2700  -17.3376
            31  O3c O    12.6700  -19.7624
            32  C1d C    18.0124  -13.6500
            33  C1a C    15.5876  -13.6500
            34  X   F    19.2249  -12.9500
            35  X   F    17.3124  -12.4376
            36  X   F    18.7124  -14.8624
BOND        38
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16   12  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   21  23 1
            26   21  24 1
            27   20  25 1
            28    8  26 2
            29    4  27 1
            30   27  28 1
            31    7  29 1
            32    7  30 2
            33    7  31 2
            34   28  32 1
            35   28  33 1 #Up
            36   32  34 1
            37   32  35 1
            38   32  36 1

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