KEGG   DRUG: D10182Help
Entry
D10182                      Drug                                   

Name
Volasertib (USAN)
Formula
C34H50N8O3
Exact mass
618.4006
Mol weight
618.8126
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Target
Polo-like Kinase 1 (PLK1) inhibitor [HSA:5347] [KO:K06631]
  Pathway
hsa04110  Cell cycle  
 
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: Others
   PLK family
    polo-like kinase 1
     Volasertib
      D10182  Volasertib (USAN)
BRITE hierarchy
Other DBs
CAS: 
755038-65-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        45
            1   C8y C    15.0707  -21.0947
            2   C8y C    15.0707  -22.4965
            3   C8x C    16.2622  -23.1974
            4   N5x N    17.5238  -22.4965
            5   C8y C    17.5238  -21.0947
            6   N5x N    16.2622  -20.3938
            7   N1b N    18.7154  -20.3938
            8   N1y N    13.8791  -20.3938
            9   C1y C    12.6175  -21.0947
            10  C5x C    12.6175  -22.4965
            11  N1y N    13.8791  -23.1974
            12  C1c C    13.8791  -18.9920
            13  C1a C    15.0707  -18.2911
            14  C1a C    12.6876  -18.2911
            15  C1b C    11.4260  -20.3938
            16  C1a C    10.2344  -21.0947
            17  O5x O    11.4260  -23.1974
            18  C1a C    13.8791  -24.5992
            19  C8y C    19.9069  -21.0947
            20  C8x C    19.9069  -22.4965
            21  C8x C    21.1685  -23.1974
            22  C8y C    22.3600  -22.4965
            23  C8x C    22.3600  -21.0947
            24  C8y C    21.1685  -20.3938
            25  O2a O    21.1685  -18.9920
            26  C1a C    19.9770  -18.2911
            27  C5a C    23.5516  -23.1974
            28  N1b N    24.7431  -22.4965
            29  O5a O    23.5516  -24.5992
            30  C1y C    25.9346  -23.1974
            31  C1x C    25.9346  -24.5992
            32  C1x C    27.1963  -25.3001
            33  C1y C    28.3878  -24.5992
            34  C1x C    28.3878  -23.1974
            35  C1x C    27.1963  -22.4965
            36  N1y N    29.5793  -25.3001
            37  C1x C    29.5793  -26.7019
            38  C1x C    30.8410  -27.4028
            39  N1y N    32.0325  -26.7019
            40  C1x C    32.0325  -25.3001
            41  C1x C    30.8410  -24.5992
            42  C1b C    33.2240  -27.4028
            43  C1y C    34.4156  -26.7019
            44  C1x C    35.8174  -26.7019
            45  C1x C    35.1165  -25.5104
BOND        50
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     1   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    2  11 1
            13    8  12 1
            14   12  13 1
            15   12  14 1
            16    9  15 1 #Up
            17   15  16 1
            18   10  17 2
            19   11  18 1
            20    7  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   24  25 1
            28   25  26 1
            29   22  27 1
            30   27  28 1
            31   27  29 2
            32   30  28 1 #Up
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   30  35 1
            39   33  36 1 #Down
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   40  41 1
            45   36  41 1
            46   39  42 1
            47   42  43 1
            48   43  44 1
            49   44  45 1
            50   45  43 1

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