KEGG   DRUG: SoblidotinHelp
Entry
D01919                      Drug                                   

Name
Soblidotin (JAN/INN)
Formula
C39H67N5O6
Exact mass
701.5091
Mol weight
701.9792
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Target
  Pathway
hsa04540  Gap junction
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D01919  Soblidotin (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 149606-27-9
PubChem: 7848981
ChEBI: 32135
LigandBox: D01919
NIKKAJI: J697.490B
LinkDB All DBs
KCF data Show

ATOM        50
            1   C1b C    36.2156  -18.1809
            2   C1b C    36.1757  -19.5788
            3   C8y C    37.3959  -20.2652
            4   C8x C    38.5969  -19.5576
            5   C8x C    39.8173  -20.2439
            6   C8x C    39.8294  -21.6448
            7   C8x C    38.6215  -22.3593
            8   C8x C    37.4081  -21.6659
            9   C5a C    33.7898  -18.1997
            10  O5a O    33.7929  -19.6004
            11  N1b N    34.9957  -17.4872
            12  C1c C    23.9276  -17.4407
            13  C1c C    25.1385  -18.1375
            14  O2a O    25.1316  -19.5383
            15  C1a C    26.3425  -20.4524
            16  C1b C    26.3493  -17.4337
            17  C5a C    27.5531  -18.1306
            18  O5a O    27.5462  -19.5314
            19  N1y N    28.7623  -17.5154
            20  C1y C    30.1747  -17.4950
            21  C1x C    30.5883  -16.0618
            22  C1x C    29.4387  -15.2552
            23  C1x C    28.3181  -16.1016
            24  C1c C    31.3676  -18.1301
            25  O2a O    31.3286  -19.5302
            26  C1c C    32.5952  -17.4632
            27  C1a C    30.0957  -20.4104
            28  C1a C    32.6305  -16.0628
            29  C1a C    19.0797  -20.5461
            30  C1c C    20.2974  -19.8486
            31  C1c C    20.3055  -18.1703
            32  C5a C    21.5169  -17.4553
            33  O5a O    21.5099  -16.0534
            34  N1c N    22.7287  -18.1527
            35  N1b N    19.0868  -17.4625
            36  C5a C    17.8750  -18.1527
            37  C1a C    22.7218  -19.5615
            38  C1a C    21.5021  -20.5515
            39  C1c C    16.6712  -17.4483
            40  O5a O    17.8669  -19.5475
            41  C1c C    16.6791  -16.0536
            42  N1c N    15.4591  -18.1387
            43  C1a C    14.2553  -17.4345
            44  C1a C    15.4511  -19.5336
            45  C1a C    17.8911  -15.3630
            46  C1a C    15.4753  -15.3492
            47  C1c C    23.9146  -16.0352
            48  C1a C    22.6976  -15.3315
            49  C1b C    25.1248  -15.3246
            50  C1a C    25.1644  -13.9245
BOND        51
            1    20  21 1
            2    21  22 1
            3    22  23 1
            4    23  19 1
            5    20  24 1
            6    24  25 1 #Up
            7    24  26 1
            8    26   9 1
            9    12  13 1
            10   13  14 1 #Up
            11   14  15 1
            12   13  16 1
            13   16  17 1
            14    7   8 2
            15   25  27 1
            16    8   3 1
            17   26  28 1 #Up
            18   11   1 1
            19    1   2 1
            20    2   3 1
            21    9  10 2
            22    9  11 1
            23    3   4 2
            24    4   5 1
            25    5   6 2
            26    6   7 1
            27   17  18 2
            28   17  19 1
            29   19  20 1
            30   32  34 1
            31   31  35 1
            32   35  36 1
            33   31  30 1 #Down
            34   31  32 1
            35   34  37 1
            36   30  38 1
            37   36  39 1
            38   36  40 2
            39   39  41 1 #Up
            40   39  42 1
            41   42  43 1
            42   32  33 2
            43   42  44 1
            44   30  29 1
            45   41  45 1
            46   41  46 1
            47   12  34 1
            48   49  50 1
            49   47  48 1 #Up
            50   47  49 1
            51   12  47 1

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