KEGG   DRUG: Peplomycin sulfateHelp
Entry
D02063                      Drug                                   

Name
Peplomycin sulfate (JP17/USAN);
Pepleo (TN)
Formula
C61H88N18O21S2. H2SO4
Exact mass
1570.5487
Mol weight
1571.6679
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 4234
Chemical structure group: DG01422
Product (DG01422): D02063<JP>
Efficacy
Antineoplastic
Comment
DNA synthesis inhibitor
Interaction
Drug interaction
Structure map
map07042  Antineoplastics - agents from natural products
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   423  Antibiotics
    4234  Bleomycins
     D02063  Peplomycin sulfate (JP17/USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02063  Peplomycin sulfate
  D02063  Peplomycin sulfate for injection
Antineoplastics [br08340.html]
 D02063
BRITE hierarchy
Other DBs
CAS: 70384-29-1
PubChem: 7849125
ChEMBL: CHEMBL2359583 CHEMBL3989633
LigandBox: D02063
NIKKAJI: J290.744E
LinkDB All DBs
KCF data Show

ATOM        107
            1   S4a S    23.6830  -23.4445
            2   O1d O    23.6830  -22.0497
            3   O1d O    23.6830  -24.8393
            4   O1d O    25.0778  -23.4445
            5   O1d O    22.2882  -23.4445
            6   C1c C    20.8229  -13.2042
            7   C5a C    22.0118  -12.5049
            8   N1b N    23.2004  -13.2042
            9   C1c C    20.8229  -14.6025
            10  O1a O    19.6343  -15.3018
            11  C1a C    22.0118  -15.3018
            12  O5a O    22.0118  -11.1063
            13  C1b C    24.3890  -12.5049
            14  C1c C    12.5724  -15.8612
            15  C5a C    13.7609  -15.1620
            16  N1b N    14.8795  -15.8612
            17  O5a O    13.7609  -13.7636
            18  C1c C    16.0682  -15.1620
            19  C1c C    16.0682  -13.2042
            20  C1c C    17.2571  -12.5049
            21  O1a O    14.8795  -12.5049
            22  C5a C    18.4457  -13.2042
            23  N1b N    19.6343  -12.5049
            24  O5a O    18.4457  -14.6025
            25  C1a C    17.2571  -11.1063
            26  C1a C    17.2571  -15.8612
            27  N5x N     7.7476  -11.6657
            28  C8y C     7.7476  -13.0643
            29  C8y C     8.9364  -13.7636
            30  C8y C    10.1950  -13.0643
            31  N5x N    10.1950  -11.6657
            32  C8y C     8.9364  -10.9665
            33  C1c C     8.9364   -9.5682
            34  N1a N     6.5589  -13.7636
            35  C5a C    11.3836  -13.7636
            36  N1b N    10.1250   -8.8688
            37  C1b C    11.3136   -9.5682
            38  C1c C    12.5023   -8.8688
            39  C5a C    13.6910   -9.5682
            40  N1a N    12.5023   -7.4704
            41  N1a N    14.8795   -8.8688
            42  O5a O    13.6910  -10.9665
            43  O5a O    12.5724  -13.0643
            44  N1b N    11.3836  -15.1620
            45  C1a C     8.9364  -15.1620
            46  C1b C     7.7476   -8.8688
            47  C5a C     6.5589   -9.5682
            48  N1a N     5.3703   -8.8688
            49  O5a O     6.5589  -10.9665
            50  C1b C    25.5777  -13.2042
            51  C8y C    25.5777  -14.6025
            52  S2x S    24.4590  -15.4416
            53  C8x C    24.8784  -16.7702
            54  C8y C    26.3469  -16.7702
            55  N5x N    26.7665  -15.4416
            56  C1c C    12.5724  -17.2597
            57  O2a O    11.3836  -17.9588
            58  C1y C    10.1250  -17.3297
            59  O2x O     8.9364  -16.6303
            60  C1y C     7.6778  -17.3297
            61  C1y C     7.6778  -18.7281
            62  C1y C     8.9364  -19.4272
            63  C1y C    10.1250  -18.7281
            64  C1b C     6.4891  -16.6303
            65  O1a O     5.3005  -17.3297
            66  O1a O     6.4891  -19.4272
            67  O1a O     8.9364  -20.7557
            68  O2a O    11.3136  -19.4272
            69  C1y C    11.3136  -20.7557
            70  O2x O    10.1250  -21.4550
            71  C1y C    10.1250  -22.8535
            72  C1y C    11.3136  -23.5525
            73  C1y C    12.5724  -22.8535
            74  C1y C    12.5724  -21.4550
            75  C1b C     8.9364  -23.5525
            76  O1a O    11.3136  -24.9508
            77  O7a O    13.9706  -23.5525
            78  O1a O    13.7609  -20.7557
            79  C8y C    13.7609  -17.9588
            80  N4x N    13.7609  -19.3572
            81  C8x C    15.0196  -19.7767
            82  N5x N    15.8586  -18.6580
            83  C8x C    15.0196  -17.5394
            84  S2x S    26.2216  -19.1123
            85  C8y C    27.0462  -17.9811
            86  C8x C    27.0434  -20.2438
            87  C8y C    28.3735  -19.8118
            88  N5x N    28.3737  -18.4135
            89  C5a C    29.5843  -20.5115
            90  N1b N    30.7957  -19.8123
            91  O5a O    29.5845  -21.9442
            92  C7a C    15.3971  -22.8633
            93  N1a N    16.5774  -23.5575
            94  O6a O    15.4090  -21.4556
            95  O1a O     7.7196  -22.8633
            96  C1b C    30.7960  -18.4144
            97  C1b C    32.0174  -17.7095
            98  C1b C    32.0174  -16.3093
            99  N1b N    30.7923  -15.6018
            100 C1c C    30.7923  -14.2014
            101 C8y C    29.5963  -13.5112
            102 C1a C    32.0075  -13.4997
            103 C8x C    29.5961  -12.1104
            104 C8x C    28.3836  -11.4105
            105 C8x C    27.1713  -12.1106
            106 C8x C    27.1714  -13.5114
            107 C8x C    28.3839  -14.2113
BOND        112
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     6   7 1
            6     7   8 1
            7     6   9 1
            8     9  10 1 #Up
            9     9  11 1
            10    7  12 2
            11    8  13 1
            12   14  15 1
            13   15  16 1
            14   15  17 2
            15   16  18 1
            16   18  19 1
            17   19  20 1
            18   19  21 1 #Up
            19   20  22 1
            20   22  23 1
            21   22  24 2
            22   20  25 1 #Down
            23   18  26 1 #Up
            24   27  28 2
            25   28  29 1
            26   29  30 2
            27   30  31 1
            28   31  32 2
            29   27  32 1
            30   32  33 1
            31   28  34 1
            32   30  35 1
            33   33  36 1
            34   36  37 1
            35   37  38 1
            36   38  39 1
            37   38  40 1 #Down
            38   39  41 1
            39   39  42 2
            40   35  43 2
            41   35  44 1
            42   29  45 1
            43   46  47 1
            44   33  46 1 #Down
            45   47  48 1
            46   47  49 2
            47   14  44 1 #Down
            48    6  23 1 #Down
            49   13  50 1
            50   50  51 1
            51   51  52 1
            52   52  53 1
            53   53  54 2
            54   54  55 1
            55   51  55 2
            56   14  56 1
            57   58  57 1 #Up
            58   58  59 1
            59   59  60 1
            60   60  61 1
            61   61  62 1
            62   62  63 1
            63   58  63 1
            64   60  64 1 #Down
            65   64  65 1
            66   61  66 1 #Down
            67   62  67 1 #Up
            68   63  68 1 #Up
            69   69  68 1 #Down
            70   69  70 1
            71   70  71 1
            72   71  72 1
            73   72  73 1
            74   73  74 1
            75   69  74 1
            76   71  75 1 #Up
            77   72  76 1 #Down
            78   73  77 1 #Up
            79   74  78 1 #Up
            80   56  79 1
            81   79  80 1
            82   80  81 1
            83   81  82 2
            84   82  83 1
            85   79  83 2
            86   56  57 1 #Down
            87   84  85 1
            88   54  85 1
            89   84  86 1
            90   86  87 2
            91   87  88 1
            92   85  88 2
            93   87  89 1
            94   89  90 1
            95   89  91 2
            96   77  92 1
            97   92  93 1
            98   92  94 2
            99   75  95 1
            100  90  96 1
            101  96  97 1
            102  97  98 1
            103  98  99 1
            104 100  99 1 #Down
            105 100 101 1
            106 100 102 1
            107 101 103 2
            108 103 104 1
            109 104 105 2
            110 105 106 1
            111 106 107 2
            112 101 107 1

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