KEGG   DRUG: Peplomycin
Entry
D08336                      Drug                                   
Name
Peplomycin (INN);
PEP
Formula
C61H88N18O21S2
Exact mass
1472.5813
Mol weight
1473.5894
Structure
Simcomp
Source
Streptomyces verticillus [TAX:29309]
Remark
Chemical structure group: DG01422
Product (DG01422): D02063<JP>
Efficacy
Antibiotic, Antineoplastic
Comment
Natural product
DNA synthesis inhibitor
Target
DNA
Structure map
map07042  Antineoplastics - agents from natural products
Other DBs
CAS: 68247-85-8
PubChem: 96025023
LigandBox: D08336
NIKKAJI: J37.195E
LinkDB
KCF data

ATOM        102
            1   C1c C    29.7147  -18.1498
            2   C5a C    30.9063  -17.4488
            3   N1b N    32.0979  -18.1498
            4   C1c C    29.7147  -19.5516
            5   O1a O    28.5232  -20.2525
            6   C1a C    30.9063  -20.2525
            7   O5a O    30.9063  -16.0470
            8   C1b C    33.2894  -17.4488
            9   C1c C    21.5139  -20.8133
            10  C5a C    22.7055  -20.1124
            11  N1b N    23.8270  -20.8133
            12  O5a O    22.7055  -18.7105
            13  C1c C    25.0185  -20.1124
            14  C1c C    25.0185  -18.1498
            15  C1c C    26.2101  -17.4488
            16  O1a O    23.8270  -17.4488
            17  C5a C    27.4017  -18.1498
            18  N1b N    28.5232  -17.4488
            19  O5a O    27.4017  -19.5516
            20  C1a C    26.2101  -16.0470
            21  C1a C    26.2101  -20.8133
            22  N5x N    16.6776  -16.6077
            23  C8y C    16.6776  -18.0096
            24  C8y C    17.8691  -18.7105
            25  C8y C    19.1308  -18.0096
            26  N5x N    19.1308  -16.6077
            27  C8y C    17.8691  -15.9068
            28  C1c C    17.8691  -14.5050
            29  N1a N    15.4860  -18.7105
            30  C5a C    20.3224  -18.7105
            31  N1b N    19.0607  -13.8040
            32  C1b C    20.2523  -14.5050
            33  C1c C    21.4438  -13.8040
            34  C5a C    22.6354  -14.5050
            35  N1a N    21.4438  -12.4022
            36  N1a N    23.8270  -13.8040
            37  O5a O    22.6354  -15.9068
            38  O5a O    21.5139  -18.0096
            39  N1b N    20.3224  -20.1124
            40  C1a C    17.8691  -20.1124
            41  C1b C    16.6776  -13.8040
            42  C5a C    15.4860  -14.5050
            43  N1a N    14.2944  -13.8040
            44  O5a O    15.4860  -15.9068
            45  C1b C    34.4810  -18.1498
            46  C8y C    34.4810  -19.5516
            47  S2x S    33.3595  -20.3927
            48  C8x C    33.7801  -21.7245
            49  C8y C    35.2520  -21.7245
            50  N5x N    35.6726  -20.3927
            51  C1c C    21.5139  -22.2151
            52  O2a O    20.3224  -22.9161
            53  C1y C    19.0607  -22.2852
            54  O2x O    17.8691  -21.5843
            55  C1y C    16.6075  -22.2852
            56  C1y C    16.6075  -23.6871
            57  C1y C    17.8691  -24.3880
            58  C1y C    19.0607  -23.6871
            59  C1b C    15.4159  -21.5843
            60  O1a O    14.2243  -22.2852
            61  O1a O    15.4159  -24.3880
            62  O1a O    17.8691  -25.7197
            63  O2a O    20.2523  -24.3880
            64  C1y C    20.2523  -25.7197
            65  O2x O    19.0607  -26.3506
            66  C1y C    19.0607  -27.7524
            67  C1y C    20.2523  -28.4533
            68  C1y C    21.5139  -27.7524
            69  C1y C    21.5139  -26.3506
            70  C1b C    17.8691  -28.4533
            71  O1a O    20.2523  -29.8552
            72  O7a O    22.9158  -28.4533
            73  O1a O    22.7055  -25.7197
            74  C8y C    22.7055  -22.9161
            75  N5x N    22.7055  -24.3179
            76  C8x C    23.9672  -24.7385
            77  N4x N    24.8083  -23.6170
            78  C8x C    23.9672  -22.4955
            79  S2x S    35.1819  -24.0375
            80  C8y C    35.9530  -22.9161
            81  C8x C    35.9530  -25.1590
            82  C8y C    37.2847  -24.7385
            83  N5x N    37.2847  -23.3366
            84  C5a C    38.5464  -25.4394
            85  N1b N    39.7379  -24.7385
            86  O5a O    38.5464  -26.8412
            87  C7a C    24.3176  -27.8225
            88  N1a N    25.5092  -28.5234
            89  O6a O    24.3176  -26.4207
            90  O1a O    16.6075  -27.8225
            91  C1b C    39.7379  -23.3366
            92  C1b C    40.9295  -22.6357
            93  C1b C    40.9295  -21.2338
            94  N1b N    39.7379  -20.5329
            95  C1c C    39.7379  -19.1311
            96  C8y C    38.5464  -18.4301
            97  C1a C    40.9295  -18.4301
            98  C8x C    38.5464  -17.0283
            99  C8x C    37.2847  -16.3274
            100 C8x C    36.0931  -17.0283
            101 C8x C    36.0931  -18.4301
            102 C8x C    37.2847  -19.1311
BOND        108
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1 #Up
            5     4   6 1
            6     2   7 2
            7     3   8 1
            8     9  10 1
            9    10  11 1
            10   10  12 2
            11   11  13 1
            12   13  14 1
            13   14  15 1
            14   14  16 1 #Up
            15   15  17 1
            16   17  18 1
            17   17  19 2
            18   15  20 1 #Down
            19   13  21 1 #Up
            20   22  23 2
            21   23  24 1
            22   24  25 2
            23   25  26 1
            24   26  27 2
            25   22  27 1
            26   27  28 1
            27   23  29 1
            28   25  30 1
            29   28  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   33  35 1 #Down
            34   34  36 1
            35   34  37 2
            36   30  38 2
            37   30  39 1
            38   24  40 1
            39   41  42 1
            40   28  41 1 #Down
            41   42  43 1
            42   42  44 2
            43    9  39 1 #Down
            44    1  18 1 #Down
            45    8  45 1
            46   45  46 1
            47   46  47 1
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   46  50 2
            52    9  51 1
            53   53  52 1 #Up
            54   53  54 1
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   57  58 1
            59   53  58 1
            60   55  59 1 #Down
            61   59  60 1
            62   56  61 1 #Down
            63   57  62 1 #Up
            64   58  63 1 #Up
            65   64  63 1 #Down
            66   64  65 1
            67   65  66 1
            68   66  67 1
            69   67  68 1
            70   68  69 1
            71   64  69 1
            72   66  70 1 #Up
            73   67  71 1 #Down
            74   68  72 1 #Up
            75   69  73 1 #Up
            76   51  74 1
            77   74  75 1
            78   75  76 2
            79   76  77 1
            80   77  78 1
            81   74  78 2
            82   51  52 1 #Down
            83   79  80 1
            84   49  80 1
            85   79  81 1
            86   81  82 2
            87   82  83 1
            88   80  83 2
            89   82  84 1
            90   84  85 1
            91   84  86 2
            92   72  87 1
            93   87  88 1
            94   87  89 2
            95   70  90 1
            96   85  91 1
            97   91  92 1
            98   92  93 1
            99   93  94 1
            100  95  94 1 #Down
            101  95  96 1
            102  95  97 1
            103  96  98 2
            104  98  99 1
            105  99 100 2
            106 100 101 1
            107 101 102 2
            108  96 102 1

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