KEGG   DRUG: Vinrosidine sulfateHelp
Entry
D06308                      Drug                                   

Name
Vinrosidine sulfate (USAN)
Formula
C46H58N4O9. xH2SO4
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Comment
Vinca alkaloid
Target
  Pathway
hsa04540  Gap junction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D06308  Vinrosidine sulfate (USAN)
BRITE hierarchy
Other DBs
CAS: 18556-44-0
PubChem: 47207965
LigandBox: D06308
KCF data Show

ATOM        64
            1   C1z C    30.6481  -20.5142
            2   C1y C    31.7394  -19.8322
            3   C1y C    30.6481  -21.7419
            4   C1x C    29.8297  -19.4230
            5   C1z C    32.8306  -20.5142
            6   N1y N    31.7394  -18.5363
            7   C1z C    31.7394  -22.4239
            8   N1y N    29.5569  -22.4239
            9   C8y C    28.4657  -21.7419
            10  C1x C    30.4435  -18.5363
            11  C1y C    32.8306  -21.7419
            12  C2x C    33.9901  -19.8322
            13  C1b C    33.9219  -21.1280
            14  C1x C    32.8306  -17.9225
            15  C7a C    32.6260  -23.5151
            16  O1a O    31.2620  -24.2653
            17  C1a C    29.5569  -23.7197
            18  O7a O    36.1043  -23.0377
            19  C2x C    33.9901  -18.5363
            20  C1a C    35.0131  -20.5142
            21  O7a O    32.6260  -24.8110
            22  O6a O    33.9219  -23.0377
            23  C1a C    33.7855  -25.4930
            24  C1a C    38.4914  -23.0377
            25  C7a C    37.2638  -22.3557
            26  O6a O    37.2638  -20.9916
            27  C8y C    28.4657  -20.5142
            28  C8x C    27.3744  -19.9004
            29  C8x C    27.3744  -22.4239
            30  C8y C    26.2832  -20.5142
            31  C8y C    26.2832  -21.8101
            32  C1z C    23.2823  -18.3999
            33  O2a O    25.1920  -22.4239
            34  C8y C    22.1910  -17.6497
            35  C1x C    24.5099  -17.6497
            36  C7a C    22.9413  -19.6276
            37  C1a C    24.1007  -21.8101
            38  C8y C    22.1910  -16.2857
            39  N4x N    21.0998  -18.2635
            40  C1y C    24.5099  -16.4221
            41  O7a O    21.5090  -20.1050
            42  O6a O    23.7597  -20.6506
            43  C8y C    19.9404  -16.2857
            44  C1x C    21.4408  -15.1944
            45  C8y C    19.9404  -17.6497
            46  C1x C    23.4187  -15.8083
            47  C1a C    20.6906  -21.4691
            48  C8x C    18.7809  -15.6718
            49  C1x C    22.1910  -14.2396
            50  C8x C    18.7809  -18.2635
            51  N1y N    23.4187  -14.5806
            52  C8x C    17.7579  -16.2857
            53  C8x C    17.7579  -17.6497
            54  C1x C    24.5099  -13.8304
            55  C1z C    25.6012  -14.4442
            56  C1x C    25.6012  -15.6036
            57  O1a O    26.8288  -13.7622
            58  C1b C    26.7824  -15.1262
            59  C1a C    26.7825  -16.4901
            60  S4a S    38.1231  -16.0518
            61  O1d O    38.1231  -14.6878
            62  O1d O    38.1231  -17.4159
            63  O1d O    36.7590  -16.0518
            64  O1d O    39.4871  -16.0518
BOND        71
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4  10 1
            9     5  11 1
            10    5  12 1
            11    5  13 1 #Down
            12    6  14 1
            13    7  15 1 #Down
            14    7  16 1 #Up
            15    8  17 1
            16   11  18 1 #Up
            17   12  19 2
            18   13  20 1
            19   15  21 1
            20    6  10 1
            21    7  11 1
            22    8   9 1
            23   14  19 1
            24   15  22 2
            25   21  23 1
            26   24  25 1
            27   18  25 1
            28   25  26 2
            29   27  28 1
            30    9  29 1
            31   28  30 2
            32   29  31 2
            33   32  30 1
            34   31  33 1
            35   32  34 1
            36   32  35 1
            37   32  36 1 #Up
            38   33  37 1
            39   34  38 2
            40   34  39 1
            41   35  40 1
            42   36  41 1
            43   36  42 2
            44   38  43 1
            45   38  44 1
            46   39  45 1
            47   40  46 1 #Down
            48   40  56 1
            49   41  47 1
            50   43  48 1
            51   44  49 1
            52   45  50 1
            53   51  46 1 #Down
            54   48  52 2
            55   50  53 2
            56   51  54 1
            57   30  31 1
            58   43  45 2
            59   49  51 1
            60   55  54 1
            61   52  53 1
            62   55  56 1
            63   55  57 1 #Down
            64   27   1 1
            65   27   9 2
            66   55  58 1 #Up
            67   58  59 1
            68   60  61 2
            69   60  62 2
            70   60  63 1
            71   60  64 1
BRACKET     1    35.3500  -18.3400   35.3500  -14.0000
            1    40.8100  -14.0000   40.8100  -18.3400
            1  x
 ORIGINAL  1   62  63  64  65  66
 REPEAT    1

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