KEGG   DRUG: Vinglycinate sulfateHelp
Entry
D06306                      Drug                                   

Name
Vinglycinate sulfate (USAN)
Formula
(C48H63N5O9)2. 3H2SO4
Exact mass
2000.8273
Mol weight
2002.3193
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Comment
Vinca alkaloid
modification of vinblastine [DR:D08675]
Target
  Pathway
hsa04540  Gap junction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D06306  Vinglycinate sulfate (USAN)
BRITE hierarchy
Other DBs
CAS: 7281-31-4
PubChem: 47207963
LigandBox: D06306
NIKKAJI: J244.745B
LinkDB All DBs
KCF data Show

ATOM        139
            1   C8y C    18.7600  -15.8200
            2   C8y C    18.7600  -14.4900
            3   N4x N    17.6400  -16.4500
            4   C8y C    16.4500  -14.4900
            5   C8y C    16.4500  -15.8200
            6   C8x C    15.3300  -13.7900
            7   C8x C    15.3300  -16.4500
            8   C8x C    14.2100  -14.4900
            9   C8x C    14.2100  -15.8200
            10  C1z C    19.8800  -16.5900
            11  C7a C    19.5300  -17.8500
            12  O7a O    18.0600  -18.3400
            13  O6a O    20.3700  -18.9000
            14  C1a C    17.2200  -19.7400
            15  C1x C    21.2100  -15.8200
            16  C1x C    21.2100  -14.4900
            17  C1x C    19.9500  -13.7900
            18  N1y N    22.3300  -13.5100
            19  C1x C    23.6600  -13.8600
            20  C1z C    24.2900  -15.1200
            21  C1x C    23.6600  -16.3800
            22  C1y C    22.3300  -16.6600
            23  C1x C    22.8428  -15.0831
            24  C1z C    26.8100  -18.7600
            25  C1y C    27.9300  -18.0600
            26  C1y C    26.8100  -20.0200
            27  C8y C    24.5700  -18.7600
            28  C1x C    25.9700  -17.6400
            29  C1z C    29.0500  -18.7600
            30  N1y N    27.9300  -16.7300
            31  C1z C    27.9300  -20.7200
            32  N1y N    25.6900  -20.7200
            33  C8y C    24.5700  -20.0200
            34  C8x C    23.4500  -18.0600
            35  C1x C    26.6000  -16.7300
            36  C1y C    29.0500  -20.0200
            37  C2x C    30.2400  -18.0600
            38  C1b C    30.1700  -19.3900
            39  C1x C    29.0500  -16.1000
            40  C7a C    28.8400  -21.8400
            41  O1a O    27.4400  -22.6100
            42  C1a C    25.6900  -22.0500
            43  C8x C    23.4500  -20.7200
            44  C8y C    22.3300  -18.7600
            45  O7a O    32.4100  -21.3500
            46  C2x C    30.2400  -16.7300
            47  C1a C    31.2900  -18.7600
            48  O7a O    28.8400  -23.1700
            49  C8y C    22.3300  -20.0200
            50  O2a O    21.2100  -20.6500
            51  C1a C    20.0900  -20.0200
            52  O6a O    30.1700  -21.3500
            53  C1a C    30.0524  -23.8700
            54  C1b C    34.8349  -21.3500
            55  C7a C    33.6224  -20.6500
            56  O6a O    33.6224  -19.2502
            57  O1a O    25.2799  -16.1099
            58  C1b C    25.2799  -14.1301
            59  C1a C    26.6254  -14.4906
            60  N1c N    36.0660  -20.6390
            61  C1a C    37.2712  -21.3346
            62  C1a C    36.0657  -19.2501
            63  S4a S    42.6720  -18.3800
            64  O1d O    42.6720  -16.9800
            65  O1d O    42.6720  -19.7800
            66  O1d O    41.2719  -18.3800
            67  O1d O    44.0719  -18.3800
            68  C8y C    18.7600  -15.8200
            69  C8y C    18.7600  -14.4900
            70  C8y C    16.4500  -14.4900
            71  C8x C    15.3300  -13.7900
            72  C8x C    14.2100  -14.4900
            73  C8x C    14.2100  -15.8200
            74  C8x C    15.3300  -16.4500
            75  C8y C    16.4500  -15.8200
            76  N4x N    17.6400  -16.4500
            77  C1x C    19.9500  -13.7900
            78  C1x C    21.2100  -14.4900
            79  N1y N    22.3300  -13.5100
            80  C1x C    23.6600  -13.8600
            81  C1z C    24.2900  -15.1200
            82  C1x C    23.6600  -16.3800
            83  C1y C    22.3300  -16.6600
            84  C1x C    21.2100  -15.8200
            85  C1z C    19.8800  -16.5900
            86  C7a C    19.5300  -17.8500
            87  O7a O    18.0600  -18.3400
            88  C1a C    17.2200  -19.7400
            89  O6a O    20.3700  -18.9000
            90  C8y C    22.3300  -18.7600
            91  C8x C    23.4500  -18.0600
            92  C8y C    24.5700  -18.7600
            93  C1z C    26.8100  -18.7600
            94  C1y C    27.9300  -18.0600
            95  C1z C    29.0500  -18.7600
            96  C1y C    29.0500  -20.0200
            97  O7a O    32.4100  -21.3500
            98  C7a C    33.6224  -20.6500
            99  C1b C    34.8349  -21.3500
            100 N1c N    36.0660  -20.6390
            101 C1a C    37.2712  -21.3346
            102 C1a C    36.0657  -19.2501
            103 O6a O    33.6224  -19.2502
            104 C1z C    27.9300  -20.7200
            105 C1y C    26.8100  -20.0200
            106 N1y N    25.6900  -20.7200
            107 C1a C    25.6900  -22.0500
            108 C8y C    24.5700  -20.0200
            109 C8x C    23.4500  -20.7200
            110 C8y C    22.3300  -20.0200
            111 O2a O    21.2100  -20.6500
            112 C1a C    20.0900  -20.0200
            113 C7a C    28.8400  -21.8400
            114 O7a O    28.8400  -23.1700
            115 C1a C    30.0524  -23.8700
            116 O6a O    30.1700  -21.3500
            117 O1a O    27.4400  -22.6100
            118 C2x C    30.2400  -18.0600
            119 C2x C    30.2400  -16.7300
            120 C1x C    29.0500  -16.1000
            121 N1y N    27.9300  -16.7300
            122 C1x C    26.6000  -16.7300
            123 C1x C    25.9700  -17.6400
            124 C1b C    30.1700  -19.3900
            125 C1a C    31.2900  -18.7600
            126 C1x C    22.8428  -15.0831
            127 O1a O    25.2799  -16.1099
            128 C1b C    25.2799  -14.1301
            129 C1a C    26.6254  -14.4906
            130 S4a S    42.6720  -18.3800
            131 O1d O    42.6720  -16.9800
            132 O1d O    42.6720  -19.7800
            133 O1d O    41.2719  -18.3800
            134 O1d O    44.0719  -18.3800
            135 S4a S    42.6720  -18.3800
            136 O1d O    42.6720  -16.9800
            137 O1d O    42.6720  -19.7800
            138 O1d O    41.2719  -18.3800
            139 O1d O    44.0719  -18.3800
BOND        152
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 2
            9     4   5 2
            10    8   9 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15    1  10 1
            16   10  15 1
            17   16  17 1
            18    2  17 1
            19   19  20 1
            20   20  21 1
            21   18  19 1
            22   15  22 1
            23   21  22 1
            24   16  18 1
            25   18  23 1
            26   22  23 1
            27   24  25 1
            28   24  26 1
            29   24  27 1
            30   24  28 1
            31   25  29 1
            32   25  30 1
            33   26  31 1
            34   26  32 1
            35   27  33 2
            36   27  34 1
            37   28  35 1
            38   29  36 1
            39   29  37 1
            40   29  38 1
            41   30  39 1
            42   31  40 1
            43   31  41 1
            44   32  42 1
            45   33  43 1
            46   34  44 2
            47   36  45 1
            48   37  46 2
            49   38  47 1
            50   40  48 1
            51   43  49 2
            52   49  50 1
            53   50  51 1
            54   30  35 1
            55   31  36 1
            56   32  33 1
            57   39  46 1
            58   44  49 1
            59   40  52 2
            60   10  44 1
            61   48  53 1
            62   54  55 1
            63   45  55 1
            64   55  56 2
            65   20  57 1
            66   20  58 1
            67   58  59 1
            68   54  60 1
            69   60  61 1
            70   60  62 1
            71   68  69 2
            72   68  76 1
            73   69  70 1
            74   76  75 1
            75   70  71 1
            76   75  74 1
            77   71  72 2
            78   74  73 2
            79   70  75 2
            80   72  73 1
            81   85  86 1
            82   86  87 1
            83   86  89 2
            84   87  88 1
            85   68  85 1
            86   85  84 1
            87   78  77 1
            88   69  77 1
            89   80  81 1
            90   81  82 1
            91   79  80 1
            92   84  83 1
            93   82  83 1
            94   78  79 1
            95   79 126 1
            96   83 126 1
            97   93  94 1
            98   93 105 1
            99   93  92 1
            100  93 123 1
            101  94  95 1
            102  94 121 1
            103 105 104 1
            104 105 106 1
            105  92 108 2
            106  92  91 1
            107 123 122 1
            108  95  96 1
            109  95 118 1
            110  95 124 1
            111 121 120 1
            112 104 113 1
            113 104 117 1
            114 106 107 1
            115 108 109 1
            116  91  90 2
            117  96  97 1
            118 118 119 2
            119 124 125 1
            120 113 114 1
            121 109 110 2
            122 110 111 1
            123 111 112 1
            124 121 122 1
            125 104  96 1
            126 106 108 1
            127 120 119 1
            128  90 110 1
            129 113 116 2
            130  85  90 1
            131 114 115 1
            132  99  98 1
            133  97  98 1
            134  98 103 2
            135  81 127 1
            136  81 128 1
            137 128 129 1
            138  99 100 1
            139 100 101 1
            140 100 102 1
            141  63  64 2
            142  63  65 2
            143  63  66 1
            144  63  67 1
            145 130 131 2
            146 130 132 2
            147 130 133 1
            148 130 134 1
            149 135 136 2
            150 135 137 2
            151 135 138 1
            152 135 139 1
BRACKET     1    14.0000  -24.5000   14.0000  -12.6700
            1    38.7800  -12.6700   38.7800  -24.5000
            1  2
 ORIGINAL  1    1   2   4   6   8   9   7   5   3  17  16  18  19  20  21  22
            1   15  10  11  12  14  13  44  34  27  24  25  29  36  45  55  54
            1   60  61  62  56  31  26  32  42  33  43  49  50  51  40  48  53
            1   52  41  37  46  39  30  35  28  38  47  23  57  58  59
 REPEAT    1   68  69  70  71  72  73  74  75  76  77  78  79  80  81  82  83
            1   84  85  86  87  88  89  90  91  92  93  94  95  96  97  98  99
            1  100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115
            1  116 117 118 119 120 121 122 123 124 125 126 127 128 129
            2    39.9000  -20.6500   39.9000  -15.9600
            2    45.5700  -15.9600   45.5700  -20.6500
            2  3
 ORIGINAL  2   63  64  65  66  67
 REPEAT    2  130 131 132 133 134 135 136 137 138 139

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