KEGG   DRUG: Bocodepsin
Entry
D12551                      Drug                                   
Name
Bocodepsin (USAN)
Formula
C26H39N5O6S2
Exact mass
581.2342
Mol weight
581.75
Structure
Remark
Chemical structure group: DG03260
Efficacy
Antineoplastic
Target
  Pathway
hsa04110  Cell cycle
hsa04330  Notch signaling pathway
hsa04613  Neutrophil extracellular trap formation
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Histone deacetylase
    HDAC
     D12551  Bocodepsin (USAN)
LinkDB
KCF data

ATOM        39
            1   C5x C    17.9200  -10.2900
            2   N1x N    17.9200  -11.6900
            3   O5x O    19.1100  -12.3900
            4   C5x C    20.3700  -11.6900
            5   N1x N    20.3700  -10.2900
            6   C1z C    19.1100   -9.5900
            7   O5x O    20.3700  -14.4900
            8   N5x N    21.5600  -13.7900
            9   C8y C    21.5600  -12.3900
            10  C1y C    16.7300  -12.3900
            11  C7x C    16.7300  -13.7900
            12  O7x O    17.9200  -14.4900
            13  C1y C    17.9200  -15.8900
            14  C1x C    19.1100  -16.5900
            15  C5x C    20.3700  -15.8900
            16  N1x N    21.5824  -16.5900
            17  C1x C    22.7949  -15.8900
            18  C8y C    22.7949  -14.4900
            19  S2x S    23.7844  -13.0900
            20  C8x C    22.8215  -11.8874
            21  O6a O    15.5147  -14.4851
            22  O5x O    16.7047   -9.5949
            23  C1c C    15.5147  -11.6949
            24  C1a C    14.3263  -12.3877
            25  C1a C    15.5089  -10.2903
            26  C1a C    18.4100   -8.3776
            27  C1a C    19.8100   -8.3776
            28  C2b C    16.7047  -16.5851
            29  C2b C    15.5163  -15.8923
            30  C1b C    14.3199  -16.5765
            31  C1b C    13.1387  -15.8881
            32  S2a S    11.9387  -16.5745
            33  C5a C    10.7592  -15.8871
            34  C1c C     9.5585  -16.5741
            35  O5a O    10.7649  -14.4901
            36  C1c C     8.3793  -15.8870
            37  C1a C     7.1785  -16.5741
            38  C1a C     8.3848  -14.4901
            39  N1a N     9.5525  -17.9895
BOND        40
            1     1   2 1
            2     3   4 2
            3     4   5 1
            4     5   6 1
            5     1   6 1
            6     8   9 1
            7     4   9 1
            8     2  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15   7 2
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18   8 2
            19   18  19 1
            20   19  20 1
            21    9  20 2
            22   11  21 2
            23    1  22 2
            24   10  23 1 #Down
            25   23  24 1
            26   23  25 1
            27    6  26 1 #Down
            28    6  27 1 #Up
            29   13  28 1 #Up
            30   28  29 2
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   33  35 2
            37   34  36 1
            38   36  37 1
            39   36  38 1
            40   34  39 1 #Up

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