KEGG   DRUG: SitafloxacinHelp
Entry
D02475                      Drug                                   

Name
Sitafloxacin (USAN);
Sitafloxacin hydrate (JAN);
STFX
Formula
(C19H18ClF2N3O3)2. 3H2O
Exact mass
872.2326
Mol weight
873.6745
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antibacterial
 DG01550  Quinolone
  DG01549  Fluoroquinolone
Other
 DG01529  Topoisomerase inhibitor
  DG01528  Topoisomerase IV inhibitor
Remark
Therapeutic category: 
ATC code: 
Activity
Antibacterial, Nucleic acid biosynthesis inhibitor
Comment
Fluoroquinolones
Target
DNA gyrase [KO:K02469 K02470];
topoisomerase IV [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 (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 (USAN); Sitafloxacin hydrate (JAN)
Antiinfectives [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   type II topoisomerase (DNA gyrase, topoisomerase IV) inhibitor
    Fluoroquinolones
     Sitafloxacin
      D02475  Sitafloxacin (USAN)
Antibacterials [br08350.html]
 D02475
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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