KEGG   DRUG: Thiostrepton
Entry
D06111                      Drug                                   
Name
Thiostrepton (USP)
Formula
C72H85N19O18S5
Exact mass
1663.4924
Mol weight
1664.8868
Structure
Simcomp
Remark
Same as: C12054
Efficacy
Antibacterial (veterinary)
Comment
Component of Panolog cream (TN)
Cyclic oligopeptide antibacterial
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Other DBs
CAS: 1393-48-2
PubChem: 47207769
ChEBI: 29693
LigandBox: D06111
NIKKAJI: J152.107A
KCF data

ATOM        114
            1   C8y C    23.2872  -19.0877
            2   C1y C    17.9871  -25.3447
            3   C1x C    18.4219  -24.0173
            4   S2x S    17.2888  -23.1934
            5   C2y C    16.1559  -24.0173
            6   N2x N    16.5905  -25.3447
            7   C5a C    19.2004  -26.0430
            8   N1b N    20.4066  -25.3447
            9   C1c C    21.6128  -26.0359
            10  C8y C    22.8189  -25.3376
            11  S2x S    24.2156  -25.3378
            12  C8x C    24.6503  -24.0102
            13  C8y C    23.5172  -23.1863
            14  N5x N    22.3844  -24.0102
            15  C1c C    14.3241  -19.7354
            16  C1a C    14.3817  -18.3388
            17  O1a O    13.1206  -20.4444
            18  C1c C    15.4903  -19.7511
            19  N5x N    19.7435  -16.8522
            20  C8y C    20.1782  -15.5249
            21  S2x S    19.0452  -14.7008
            22  C8x C    17.9123  -15.5249
            23  C8y C    18.3469  -16.8522
            24  C8y C    22.5931  -16.9227
            25  C8x C    21.4533  -17.7468
            26  S2x S    21.8878  -19.0813
            27  N5x N    23.7261  -17.7468
            28  C1y C    22.5951  -15.5261
            29  N2x N    23.8067  -14.0615
            30  C2y C    23.8088  -12.8748
            31  C1x C    22.6002  -12.1747
            32  C1x C    21.3898  -12.8713
            33  C1z C    21.3878  -14.8279
            34  C5a C    17.9731  -18.1994
            35  O5a O    19.0748  -19.0577
            36  C8y C    25.0193  -12.1782
            37  S2x S    26.2932  -12.7406
            38  C8x C    27.2292  -11.7040
            39  C8y C    26.5326  -10.4936
            40  N5x N    25.1661  -10.7819
            41  N1b N    16.6188  -18.5592
            42  N1b N    22.4533  -14.0523
            43  C1d C    21.6158  -27.4326
            44  C1a C    20.4079  -28.1336
            45  C1c C    22.8269  -28.1283
            46  O1a O    22.8189  -26.5802
            47  O1a O    22.8299  -29.5249
            48  C1a C    24.0349  -27.4273
            49  O5a O    19.2035  -27.4397
            50  C2c C    14.9401  -23.3133
            51  N1b N    14.9418  -21.9167
            52  C2b C    13.7297  -24.0101
            53  C1a C    12.5210  -23.3102
            54  C5a C    16.1815  -20.9573
            55  O5a O    17.5781  -20.9573
            56  C5a C    26.5221   -9.0904
            57  O5a O    25.3075   -8.4011
            58  N1b N    27.7264   -8.3830
            59  C2c C    28.9410   -9.0723
            60  C5a C    30.1454   -8.3649
            61  C2a C    28.8815  -10.4689
            62  N1b N    31.3600   -9.0542
            63  O5a O    30.2049   -6.9684
            64  C2c C    32.5643   -8.3469
            65  C5a C    33.7789   -9.0361
            66  C2a C    32.5538   -6.9503
            67  O5a O    33.7894  -10.4327
            68  N1a N    34.9833   -8.3288
            69  C8y C    27.6174  -22.3894
            70  C8x C    27.6803  -23.7860
            71  C8y C    28.8163  -24.4904
            72  N5x N    28.8303  -21.6972
            73  C8y C    30.0363  -22.4016
            74  C8y C    30.0219  -23.7924
            75  C2x C    31.2195  -24.5002
            76  C2x C    32.5011  -23.8172
            77  C1y C    32.4455  -22.4263
            78  C1y C    31.2481  -21.7185
            79  C1c C    28.8724  -25.8809
            80  C1a C    27.6559  -26.5671
            81  O1a O    30.0748  -26.5913
            82  N1b N    33.6604  -21.7376
            83  C7a C    26.4114  -21.6850
            84  C5a C    32.4614  -19.2927
            85  C1c C    33.6676  -19.9910
            86  C1c C    34.8737  -19.2927
            87  C1b C    36.0799  -19.9910
            88  C1c C    25.2313  -15.0676
            89  N1b N    26.4373  -15.7720
            90  C5a C    27.6504  -15.0798
            91  C2c C    28.8562  -15.7842
            92  O5a O    27.6573  -13.6832
            93  C2a C    28.8493  -16.9708
            94  N1b N    30.0693  -15.0920
            95  C5a C    31.2754  -15.7964
            96  C5a C    24.0183  -15.7598
            97  C1a C    25.1684  -13.6710
            98  O5a O    24.0112  -16.8743
            99  C1c C    31.2682  -17.1930
            100 O5a O    32.4883  -15.1042
            101 C1a C    30.0551  -18.0252
            102 N1b N    32.4742  -17.8974
            103 O5a O    31.0648  -19.2856
            104 C1a C    34.8737  -17.8961
            105 C1a C    37.2901  -19.2942
            106 O7a O    26.4183  -19.9384
            107 C1c C    25.2125  -19.2340
            108 C1a C    25.2194  -17.8373
            109 C1c C    23.9994  -19.9262
            110 N1b N    23.9899  -21.3170
            111 C5a C    22.7766  -22.0084
            112 O5a O    21.4220  -21.6685
            113 O6a O    25.1983  -22.3770
            114 O1a O    31.2481  -20.3185
BOND        123
            1    51  54 1
            2     2   3 1
            3    39  56 1
            4    30  36 1
            5    56  57 2
            6    28  29 1
            7    56  58 1
            8    29  30 2
            9    58  59 1
            10   36  37 1
            11   59  60 1
            12   37  38 1
            13   59  61 2
            14   38  39 2
            15   60  62 1
            16   39  40 1
            17   60  63 2
            18   40  36 2
            19   62  64 1
            20   27   1 2
            21   64  65 1
            22   25  26 1
            23   64  66 2
            24   30  31 1
            25   65  67 2
            26   31  32 1
            27   65  68 1
            28   32  33 1
            29   33  28 1
            30   33  20 1 #Up
            31   23  34 1
            32   19  20 2
            33   69  70 1
            34   70  71 2
            35   71  74 1
            36   73  72 1
            37   72  69 2
            38   20  21 1
            39   21  22 1
            40   22  23 2
            41   23  19 1
            42   24  25 2
            43   26   1 1
            44   73  74 2
            45   74  75 1
            46   75  76 2
            47   76  77 1
            48   77  78 1
            49   78  73 1
            50   27  24 1
            51   71  79 1
            52   34  35 2
            53   79  80 1
            54   24  28 1
            55   79  81 1
            56   11  12 1
            57   77  82 1 #Down
            58   34  41 1
            59   69  83 1
            60   18  41 1 #Down
            61   12  13 2
            62   84  85 1
            63   85  86 1
            64   13  14 1
            65   86  87 1
            66   33  42 1 #Down
            67   14  10 2
            68   88  89 1
            69    9  43 1
            70   89  90 1
            71   10  11 1
            72   90  91 1
            73   43  44 1
            74   90  92 2
            75    7   8 1
            76   91  93 2
            77   43  45 1
            78   91  94 1
            79   18  15 1
            80   94  95 1
            81   43  46 1
            82   88  96 1
            83    3   4 1
            84   88  97 1
            85   45  47 1
            86   96  98 2
            87   15  16 1
            88   95  99 1
            89   45  48 1
            90   95 100 2
            91    9   8 1 #Up
            92   99 101 1
            93    7  49 2
            94   99 102 1
            95  102  84 1
            96    7   2 1
            97   84 103 2
            98   15  17 1 #Down
            99   86 104 1
            100   5  50 1
            101  87 105 1
            102  85  82 1
            103   4   5 1
            104  50  51 1
            105  83 106 1
            106   9  10 1
            107 106 107 1
            108  50  52 2
            109 107 108 1
            110   5   6 2
            111 107 109 1
            112  52  53 1
            113 109 110 1 #Down
            114  42  96 1
            115   6   2 1
            116 110 111 1
            117 111  13 1
            118   1 109 1
            119  18  54 1
            120 111 112 2
            121  83 113 2
            122  54  55 2
            123  78 114 1 #Up

» Japanese version   » Back

DBGET integrated database retrieval system