KEGG   DRUG: D03599Help
Entry
D03599                      Drug                                   

Name
Coumermycin sodium (USAN)
Formula
C55H59N5O20. Na
Exact mass
1132.3651
Mol weight
1133.0682
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial
Remark
Drug group: 
Comment
Coumermycin : sodium salt = 5:7
Formula: C55H57.6N5O20. Na1.4
Target
DNA gyrase inhibitor [KO:K02469 K02470]
Brite
Antiinfectives [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   type II topoisomerase (DNA gyrase, topoisomerase IV) inhibitor
    Others
     Coumermycin
      D03599  Coumermycin sodium (USAN)
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Coumarins
   D03599  Coumermycin sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 
4575-42-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        81
            1   C8y C    25.6587  -18.4055
            2   C8y C    25.6587  -19.7762
            3   C8x C    26.8239  -20.4616
            4   C8x C    28.0576  -19.7762
            5   C8y C    28.0576  -18.4055
            6   C8y C    26.8239  -17.7201
            7   O7x O    24.4936  -17.7201
            8   C8y C    23.2599  -18.4055
            9   C8y C    23.2599  -19.7762
            10  C8y C    24.4936  -20.4616
            11  O1a O    24.4936  -21.8324
            12  O6a O    22.0948  -17.7201
            13  C1a C    26.8239  -16.3493
            14  O2a O    29.2227  -17.7201
            15  N1b N    22.0948  -20.4616
            16  C5a C    20.9296  -19.7762
            17  C8y C    19.7645  -20.4616
            18  O5a O    20.9296  -18.4055
            19  C8y C    18.6678  -19.6392
            20  C8y C    17.5026  -20.4616
            21  C8x C    17.9138  -21.7638
            22  N4x N    19.2847  -21.7638
            23  C1a C    18.6678  -18.2684
            24  C5a C    16.3375  -19.7762
            25  N1b N    15.1723  -20.4616
            26  C8y C    13.9386  -19.7762
            27  C8y C    12.7735  -20.4616
            28  O5a O    16.3375  -18.4055
            29  C8y C    13.9386  -18.4055
            30  O7x O    12.7735  -17.7201
            31  C8y C    11.6083  -18.4055
            32  C8y C    11.6083  -19.7762
            33  O6a O    15.1038  -17.7201
            34  O1a O    12.7735  -21.8324
            35  C8y C    10.3747  -17.7201
            36  C8y C     9.2095  -18.4055
            37  C8x C     9.2095  -19.7762
            38  C8x C    10.3747  -20.4616
            39  C1a C    10.3747  -16.3493
            40  O2a O     8.0444  -17.7201
            41  C1y C     8.0444  -15.3898
            42  C1y C     9.2314  -14.7044
            43  C1y C     9.2314  -13.3337
            44  C1y C     8.0444  -12.6483
            45  C1z C     6.8573  -13.3337
            46  O2x O     6.8573  -14.7044
            47  O2a O     8.0444  -11.2775
            48  C1a C     5.6868  -12.6577
            49  C1a C     5.6701  -14.0190
            50  C1a C     6.8573  -10.5922
            51  C1y C    29.2227  -15.3213
            52  O2x O    30.4098  -14.7044
            53  C1z C    30.4098  -13.3337
            54  C1y C    29.2227  -12.6483
            55  C1y C    28.0356  -13.3337
            56  C1y C    28.0356  -14.7044
            57  C1a C    31.5803  -12.6577
            58  C1a C    31.5804  -14.0096
            59  O2a O    29.2227  -11.2775
            60  C1a C    30.4098  -10.5922
            61  O1a O    10.4186  -15.3898
            62  O6a O    12.0169  -14.7044
            63  C7a C    12.0169  -13.3337
            64  O7a O    10.6242  -12.6483
            65  O7a O    26.6429  -12.6483
            66  C7a C    25.2501  -13.3337
            67  O6a O    25.2501  -14.7044
            68  O1a O    26.8485  -15.3898
            69  C8y C    13.2061  -12.6471
            70  C8y C    24.0610  -12.6471
            71  C8x C    13.2061  -11.2764
            72  C8x C    24.0610  -11.2764
            73  N4x N    14.5098  -13.0708
            74  C8y C    15.3155  -11.9617
            75  C8x C    14.5098  -10.8528
            76  C8x C    22.7574  -10.8528
            77  C8y C    21.9517  -11.9617
            78  N4x N    22.7574  -13.0707
            79  C1a C    16.6802  -11.9617
            80  C1a C    20.5869  -11.9617
            81  Z   Na   31.0100  -19.3200
BOND        88
            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     7   8 1
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12   10  11 1
            13    8  12 2
            14    6  13 1
            15    5  14 1
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   17  22 1
            25   19  23 1
            26   20  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 2
            30   24  28 2
            31   26  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   27  32 1
            36   29  33 2
            37   27  34 1
            38   31  35 2
            39   35  36 1
            40   36  37 2
            41   37  38 1
            42   32  38 2
            43   35  39 1
            44   36  40 1
            45   41  40 1 #Down
            46   41  42 1
            47   42  43 1
            48   43  44 1
            49   44  45 1
            50   45  46 1
            51   41  46 1
            52   44  47 1 #Down
            53   45  48 1
            54   45  49 1
            55   47  50 1
            56   51  14 1 #Down
            57   51  52 1
            58   52  53 1
            59   53  54 1
            60   54  55 1
            61   55  56 1
            62   51  56 1
            63   53  57 1
            64   53  58 1
            65   54  59 1 #Down
            66   59  60 1
            67   42  61 1 #Up
            68   62  63 2
            69   63  64 1
            70   43  64 1 #Up
            71   55  65 1 #Up
            72   65  66 1
            73   66  67 2
            74   56  68 1 #Up
            75   63  69 1
            76   66  70 1
            77   69  71 2
            78   70  72 2
            79   69  73 1
            80   73  74 1
            81   74  75 2
            82   71  75 1
            83   72  76 1
            84   76  77 2
            85   77  78 1
            86   70  78 1
            87   74  79 1
            88   77  80 1

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