KEGG   DRUG: D02475Help
Entry
D02475                      Drug                                   

Name
Sitafloxacin hydrate (JAN);
Sitafloxacin (USAN);
STFX
Formula
(C19H18ClF2N3O3)2. 3H2O
Exact mass
872.2326
Mol weight
873.6745
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial [DNA-gyrase inhibitor]
Remark
Therapeutic category: 
ATC code: 
Target
DNA gyrase inhibitor [KO:K02469 K02470];
topoisomerase IV inhibitor [KO:K02621 K02622]
Interaction
Drug interaction
Structure map
Quinolones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01M QUINOLONE ANTIBACTERIALS
    J01MA Fluoroquinolones
     J01MA21 Sitafloxacin
      D02475  Sitafloxacin hydrate (JAN); Sitafloxacin (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   624  Synthetic antibacterials
    6241  Pyridonecarboxylic acids
     D02475  Sitafloxacin hydrate (JAN); Sitafloxacin (USAN)
Antiinfectives [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   type II topoisomerase (DNA gyrase, topoisomerase IV) inhibitor
    Fluoroquinolones
     Sitafloxacin
      D02475  Sitafloxacin hydrate (JAN); Sitafloxacin (USAN)
BRITE hierarchy
Other DBs
CAS: 
163253-35-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        59
            1   C1z C    11.8685  -16.2329
            2   C1x C    11.1688  -15.0202
            3   C1x C    10.4692  -16.2329
            4   C8y C    17.6055  -15.9997
            5   N4y N    18.8649  -16.6994
            6   C8y C    16.4394  -16.6994
            7   C8y C    17.6055  -14.6004
            8   C1y C    18.8649  -18.0987
            9   C8x C    20.0309  -15.9997
            10  C8y C    15.2267  -15.9997
            11  X   Cl   16.4394  -18.0987
            12  C8y C    18.8182  -13.9008
            13  C8x C    16.4394  -13.9008
            14  C1y C    19.5645  -19.3113
            15  C1x C    18.1653  -19.3113
            16  C8y C    20.0309  -14.6004
            17  N1y N    14.0140  -16.8859
            18  C8y C    15.2267  -14.6004
            19  O5x O    18.8182  -12.5014
            20  C6a C    21.2437  -13.9008
            21  C1x C    13.1744  -15.7665
            22  C1x C    13.2211  -18.0520
            23  X   F    14.0140  -13.9008
            24  O6a O    22.4564  -14.6004
            25  O6a O    21.2437  -12.5014
            26  C1y C    11.8685  -17.6322
            27  X   F    20.7772  -20.0110
            28  N1a N    10.7490  -18.4251
            29  O0  O    27.4006  -16.2557
            30  C1z C    11.8685  -16.2329
            31  C1x C    11.1688  -15.0202
            32  C1x C    10.4692  -16.2329
            33  C1x C    13.1744  -15.7665
            34  N1y N    14.0140  -16.8859
            35  C8y C    15.2267  -15.9997
            36  C8y C    16.4394  -16.6994
            37  C8y C    17.6055  -15.9997
            38  N4y N    18.8649  -16.6994
            39  C1y C    18.8649  -18.0987
            40  C1y C    19.5645  -19.3113
            41  C1x C    18.1653  -19.3113
            42  X   F    20.7772  -20.0110
            43  C8x C    20.0309  -15.9997
            44  C8y C    20.0309  -14.6004
            45  C6a C    21.2437  -13.9008
            46  O6a O    22.4564  -14.6004
            47  O6a O    21.2437  -12.5014
            48  C8y C    18.8182  -13.9008
            49  C8y C    17.6055  -14.6004
            50  C8x C    16.4394  -13.9008
            51  C8y C    15.2267  -14.6004
            52  X   F    14.0140  -13.9008
            53  O5x O    18.8182  -12.5014
            54  X   Cl   16.4394  -18.0987
            55  C1x C    13.2211  -18.0520
            56  C1y C    11.8685  -17.6322
            57  N1a N    10.7490  -18.4251
            58  O0  O    27.4006  -16.2557
            59  O0  O    27.4006  -16.2557
BOND        64
            1     1   2 1
            2     1   3 1
            3     4   5 1
            4     4   6 1
            5     4   7 2
            6     8   5 1 #Up
            7     5   9 1
            8     6  10 2
            9     6  11 1
            10    7  12 1
            11    7  13 1
            12    8  14 1
            13    8  15 1
            14    9  16 2
            15   10  17 1
            16   10  18 1
            17   12  19 2
            18   16  20 1
            19   17  21 1
            20   17  22 1
            21   18  23 1
            22   20  24 1
            23   20  25 2
            24   21   1 1
            25   22  26 1
            26   12  16 1
            27   13  18 2
            28   14  15 1
            29    1  26 1
            30    3   2 1
            31   14  27 1 #Up
            32   26  28 1 #Up
            33   30  31 1
            34   30  32 1
            35   37  38 1
            36   37  36 1
            37   37  49 2
            38   39  38 1 #Up
            39   38  43 1
            40   36  35 2
            41   36  54 1
            42   49  48 1
            43   49  50 1
            44   39  40 1
            45   39  41 1
            46   43  44 2
            47   35  34 1
            48   35  51 1
            49   48  53 2
            50   44  45 1
            51   34  33 1
            52   34  55 1
            53   51  52 1
            54   45  46 1
            55   45  47 2
            56   33  30 1
            57   55  56 1
            58   48  44 1
            59   50  51 2
            60   40  41 1
            61   30  56 1
            62   32  31 1
            63   40  42 1 #Up
            64   56  57 1 #Up
BRACKET     1     8.8900  -20.7200    8.8900  -11.6900
            1    23.5900  -11.6900   23.5900  -20.7200
            1  2
 ORIGINAL  1    1   2   3  21  17  10   6   4   5   8  14  15  27   9  16  20
            1   24  25  12   7  13  18  23  19  11  22  26  28
 REPEAT    1   30  31  32  33  34  35  36  37  38  39  40  41  42  43  44  45
            1   46  47  48  49  50  51  52  53  54  55  56  57
            2    25.2700  -17.1500   25.2700  -15.2600
            2    28.0700  -15.2600   28.0700  -17.1500
            2  3
 ORIGINAL  2   29
 REPEAT    2   58  59

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