KEGG   DRUG: D03500Help
Entry
D03500                      Drug                                   

Name
Cilofungin (USAN/INN)
Formula
C49H71N7O17
Exact mass
1029.4906
Mol weight
1030.1247
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antifungal
Target
beta-1,3-glucan synthesis inhibitor [KO:K00706]
  Pathway
ko00500  Starch and sucrose metabolism  
 
Brite
Antiinfectives [BR:br08307]
 Antifungals
  Cell wall biosyntehsis inhibitor
   beta-1,3-glucan synthase inhibitor
    Echinocandins
     Cilofungin
      D03500  Cilofungin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
79404-91-4
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        73
            1   N1y N     9.5900  -18.1300
            2   C5a C    10.7800  -18.8300
            3   C1c C    12.0400  -18.1300
            4   C5a C    12.0400  -15.9600
            5   N1b N    13.2300  -18.8300
            6   C5a C    14.4200  -18.1300
            7   C1c C    14.4200  -15.9600
            8   N1b N    13.2300  -15.2600
            9   C1c C    15.6800  -18.8300
            10  C1b C    16.8700  -18.1300
            11  N1b N    16.8700  -15.9600
            12  C5a C    15.6800  -15.2600
            13  C1c C    18.0600  -18.8300
            14  C1c C    19.3200  -18.1300
            15  C5a C    19.3200  -15.9600
            16  C1c C    18.0600  -15.2600
            17  N1b N    20.5100  -18.8300
            18  C5a C    21.7000  -18.1300
            19  C1y C    21.7000  -15.9600
            20  N1y N    20.5100  -15.2600
            21  O5a O    15.6800  -13.8600
            22  C1c C    18.0600  -11.9700
            23  C1a C    19.2500  -11.2700
            24  O1a O    16.8700  -11.2700
            25  O5a O    19.3200  -17.3600
            26  C1y C    22.7500  -15.0500
            27  C1y C    22.1900  -13.7200
            28  C1x C    20.7900  -13.7200
            29  O1a O    24.1500  -15.3300
            30  C1c C    14.4200  -13.3700
            31  O1a O    15.6100  -12.6700
            32  C1c C    13.2300  -12.6700
            33  O1a O    12.0400  -13.3700
            34  C8y C    13.2300  -11.2700
            35  C8x C    14.4200  -10.5700
            36  C8x C    14.4200   -9.1700
            37  C8y C    13.2300   -8.4700
            38  C8x C    11.9700   -9.1700
            39  C8x C    11.9700  -10.5700
            40  O1a O    13.2300   -7.0700
            41  O5a O    22.8900  -18.8300
            42  N1b N    15.6800  -23.1700
            43  O5a O    14.4200  -16.7300
            44  C5a C    16.8700  -23.8700
            45  C8y C    18.0600  -23.1700
            46  O5a O    16.8700  -25.2700
            47  O5a O    10.7800  -20.2300
            48  C1c C    12.0400  -20.8600
            49  C1a C    10.8500  -21.5600
            50  O1a O    13.2300  -21.5600
            51  O5a O    12.0400  -17.3600
            52  C1y C     9.5900  -15.9600
            53  C1x C     8.2585  -15.5274
            54  C1y C     7.4356  -17.0800
            55  C1x C     8.2585  -18.5626
            56  O1a O     6.0201  -17.0937
            57  C1a C    22.9053  -12.5166
            58  O1a O    18.0428  -20.2299
            59  O1a O    19.3200  -19.5300
            60  C8x C    19.2724  -23.8700
            61  C8x C    20.4849  -23.1700
            62  C8y C    20.4849  -21.7700
            63  C8x C    19.2724  -21.0700
            64  C8x C    18.0600  -21.7700
            65  O2a O    21.7160  -21.0590
            66  C1b C    22.9212  -21.7547
            67  C1b C    24.1035  -21.0719
            68  C1b C    25.2975  -21.7612
            69  C1b C    26.4854  -21.0752
            70  C1b C    27.6724  -21.7700
            71  C1b C    28.8849  -21.0700
            72  C1b C    30.0973  -21.7700
            73  C1a C    31.3097  -21.0700
BOND        77
            1     1   2 1
            2     2   3 1
            3     3   5 1 #Down
            4     5   6 1
            5     7   8 1 #Down
            6     4   8 1
            7     6   9 1
            8     9  10 1
            9    11  12 1
            10    7  12 1
            11   10  13 1
            12   13  14 1
            13   15  16 1
            14   11  16 1
            15   14  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   15  20 1
            20   12  21 2
            21   16  22 1
            22   22  23 1
            23   22  24 1 #Down
            24   15  25 2
            25   19  26 1
            26   26  27 1
            27   27  28 1
            28   20  28 1
            29   26  29 1 #Down
            30    7  30 1
            31   30  31 1 #Up
            32   30  32 1
            33   32  33 1 #Up
            34   32  34 1
            35   34  35 2
            36   35  36 1
            37   36  37 2
            38   37  38 1
            39   38  39 2
            40   34  39 1
            41   37  40 1
            42   18  41 2
            43    9  42 1 #Down
            44    6  43 2
            45   42  44 1
            46   44  46 2
            47    2  47 2
            48    3  48 1
            49   48  49 1
            50   48  50 1 #Down
            51    4  51 2
            52    1  52 1
            53   52  53 1
            54   53  54 1
            55   54  55 1
            56    1  55 1
            57   52   4 1
            58   54  56 1 #Down
            59   44  45 1
            60   27  57 1 #Down
            61   13  58 1 #Down
            62   14  59 1 #Down
            63   45  60 2
            64   60  61 1
            65   61  62 2
            66   62  63 1
            67   63  64 2
            68   45  64 1
            69   62  65 1
            70   68  69 1
            71   65  66 1
            72   66  67 1
            73   67  68 1
            74   69  70 1
            75   70  71 1
            76   71  72 1
            77   72  73 1

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