KEGG   DRUG: Rimiducid
Entry
D11195                      Drug                                   

Name
Rimiducid (USAN/INN)
Formula
C78H98N4O20
Exact mass
1410.6774
Mol weight
1411.6275
Structure
Efficacy
Antineoplastic, Caspase 9 activator
Comment
Treatment of cancer, immune and infectious diseases
Target
CASP9 [HSA:842] [KO:K04399]
  Pathway
hsa04210  Apoptosis
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Cysteine peptidases
    CASP9
     D11195  Rimiducid (USAN/INN)
Other DBs
CAS: 195514-63-7
PubChem: 384585174
ChEMBL: CHEMBL269259
LinkDB
KCF data

ATOM        102
            1   C1c C    14.1400  -16.0300
            2   C8y C    15.3300  -16.7300
            3   C1b C    12.9500  -16.7300
            4   O7a O    14.1400  -14.6300
            5   C8x C    15.3300  -18.1300
            6   C8x C    16.5900  -18.8300
            7   C8x C    17.7800  -18.1300
            8   C8y C    17.7800  -16.7300
            9   C8x C    16.5900  -16.0300
            10  O2a O    18.9700  -16.0300
            11  C1b C    18.9700  -14.6300
            12  C1b C    11.7600  -16.0300
            13  C7a C    12.9500  -13.9300
            14  O6a O    11.7600  -14.6300
            15  C1y C    12.9500  -12.5300
            16  C8y C    10.5700  -16.7300
            17  C8x C     9.3800  -16.0300
            18  C8y C     8.1200  -16.7300
            19  C8y C     8.1200  -18.1300
            20  C8x C     9.3100  -18.8300
            21  C8x C    10.5700  -18.1300
            22  O2a O     6.9300  -16.0300
            23  O2a O     6.9300  -18.8300
            24  C1a C     5.7400  -18.1300
            25  C1a C     5.7400  -16.7300
            26  C1x C    14.1400  -11.8300
            27  C1x C    14.1400  -10.4300
            28  C1x C    12.9500   -9.7300
            29  C1x C    11.6900  -10.4300
            30  N1y N    11.6900  -11.8300
            31  C5a C    10.5000  -12.5300
            32  C1c C     9.3100  -11.8300
            33  O5a O    10.5000  -13.9300
            34  C1b C     8.1200  -12.5300
            35  C8y C     9.3100  -10.4300
            36  C1a C     6.9300  -11.8300
            37  C8x C    10.5000   -9.7300
            38  C8y C    10.5000   -8.3300
            39  C8y C     9.3100   -7.6300
            40  C8y C     8.0500   -8.3300
            41  C8x C     8.0500   -9.7300
            42  O2a O     9.3100   -6.2300
            43  C1a C     8.1200   -5.5300
            44  O2a O    11.6900   -7.6300
            45  C1a C    12.8800   -8.3300
            46  O2a O     6.8600   -7.6300
            47  C1a C     5.6700   -8.3300
            48  C5a C    17.7800  -13.9300
            49  O5a O    16.5900  -14.6300
            50  N1b N    17.7800  -12.5300
            51  C1b C    18.9700  -11.8300
            52  C1b C    20.1600  -12.5300
            53  C1c C    24.9900   -8.3300
            54  C8y C    23.8000   -7.6300
            55  C1b C    26.1800   -7.6300
            56  O7a O    24.9900   -9.7300
            57  C8x C    23.8000   -6.2300
            58  C8x C    22.5400   -5.5300
            59  C8x C    21.3500   -6.2300
            60  C8y C    21.3500   -7.6300
            61  C8x C    22.5400   -8.3300
            62  O2a O    20.1600   -8.3300
            63  C1b C    20.1600   -9.7300
            64  C1b C    27.3700   -8.3300
            65  C7a C    26.1800  -10.4300
            66  O6a O    27.3700   -9.7300
            67  C1y C    26.1800  -11.8300
            68  C8y C    28.5600   -7.6300
            69  C8x C    29.8200   -8.3300
            70  C8y C    31.0800   -7.6300
            71  C8y C    31.0800   -6.2300
            72  C8x C    29.8900   -5.5300
            73  C8x C    28.5600   -6.2300
            74  O2a O    32.2700   -8.3300
            75  O2a O    32.2700   -5.5300
            76  C1a C    33.4600   -6.2300
            77  C1a C    33.4600   -7.6300
            78  C1x C    24.9900  -12.5300
            79  C1x C    24.9900  -13.9300
            80  C1x C    26.1800  -14.7000
            81  C1x C    27.4400  -13.9300
            82  N1y N    27.4400  -12.5300
            83  C5a C    28.6300  -11.8300
            84  C1c C    29.8900  -12.5300
            85  O5a O    28.6300  -10.4300
            86  C1b C    31.0800  -11.8300
            87  C8y C    29.8900  -13.9300
            88  C1a C    32.2700  -12.5300
            89  C8x C    28.6300  -14.7000
            90  C8y C    28.6300  -16.1000
            91  C8y C    29.8900  -16.8000
            92  C8y C    31.1500  -16.1000
            93  C8x C    31.1500  -14.7000
            94  O2a O    29.8900  -18.2000
            95  C1a C    31.0800  -18.9000
            96  O2a O    27.4400  -16.8000
            97  C1a C    26.2500  -16.1000
            98  O2a O    32.3400  -16.8000
            99  C1a C    33.5300  -16.1000
            100 C5a C    21.3500  -10.4300
            101 O5a O    22.5400   -9.7300
            102 N1b N    21.3500  -11.8300
BOND        109
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     2   9 1
            10    8  10 1
            11   10  11 1
            12    3  12 1
            13    4  13 1
            14   13  14 2
            15   15  13 1 #Up
            16   12  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23   18  22 1
            24   19  23 1
            25   23  24 1
            26   22  25 1
            27   15  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   15  30 1
            33   30  31 1
            34   32  31 1 #Up
            35   31  33 2
            36   32  34 1
            37   32  35 1
            38   34  36 1
            39   35  37 2
            40   37  38 1
            41   38  39 2
            42   39  40 1
            43   40  41 2
            44   35  41 1
            45   39  42 1
            46   42  43 1
            47   38  44 1
            48   44  45 1
            49   40  46 1
            50   46  47 1
            51   11  48 1
            52   48  49 2
            53   48  50 1
            54   50  51 1
            55   51  52 1
            56   53  54 1
            57   53  55 1 #Up
            58   53  56 1
            59   54  57 2
            60   57  58 1
            61   58  59 2
            62   59  60 1
            63   60  61 2
            64   54  61 1
            65   60  62 1
            66   62  63 1
            67   55  64 1
            68   56  65 1
            69   65  66 2
            70   67  65 1 #Up
            71   64  68 1
            72   68  69 2
            73   69  70 1
            74   70  71 2
            75   71  72 1
            76   72  73 2
            77   68  73 1
            78   70  74 1
            79   71  75 1
            80   75  76 1
            81   74  77 1
            82   67  78 1
            83   78  79 1
            84   79  80 1
            85   80  81 1
            86   81  82 1
            87   67  82 1
            88   82  83 1
            89   84  83 1 #Up
            90   83  85 2
            91   84  86 1
            92   84  87 1
            93   86  88 1
            94   87  89 2
            95   89  90 1
            96   90  91 2
            97   91  92 1
            98   92  93 2
            99   87  93 1
            100  91  94 1
            101  94  95 1
            102  90  96 1
            103  96  97 1
            104  92  98 1
            105  98  99 1
            106  63 100 1
            107 100 101 2
            108 100 102 1
            109 102  52 1

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