KEGG   DRUG: D10155Help
Entry
D10155                      Drug                                   

Name
Rigosertib sodium (USAN)
Formula
C21H24NO8S. Na
Exact mass
473.112
Mol weight
473.4719
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Remark
Drug group: 
Target
Polo-like Kinase 1 (PLK1) inhibitor [HSA:5347] [KO:K06631];
phosphatidylinositol 3-kinases inhibitor
  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
     Rigosertib
      D10155  Rigosertib sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 
592542-60-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        32
            1   C8y C    16.1000  -21.7700
            2   C8x C    16.1000  -23.1700
            3   C8y C    17.2900  -23.8700
            4   C8y C    18.4800  -23.1700
            5   C8y C    18.4800  -21.7700
            6   C8x C    17.2900  -21.0700
            7   O2a O    19.7400  -21.0700
            8   C1a C    19.7400  -19.6700
            9   C2b C    19.7400  -23.8700
            10  C2b C    20.9300  -23.1700
            11  S4a S    22.1200  -23.8700
            12  C1b C    23.3100  -23.1700
            13  C8y C    24.5000  -23.8700
            14  C8x C    24.5000  -25.2700
            15  C8x C    25.7600  -25.9700
            16  C8y C    26.9500  -25.2700
            17  C8y C    26.9500  -23.8700
            18  C8x C    25.7600  -23.1700
            19  N1b N    28.2100  -23.1700
            20  C1b C    29.4000  -23.8700
            21  C6a C    30.5900  -23.1700
            22  O6a O    31.7800  -23.8700 #-
            23  O6a O    30.5900  -21.7700
            24  O2a O    28.2100  -25.9700
            25  C1a C    29.4000  -25.2700
            26  O2a O    14.8400  -21.0700
            27  C1a C    13.6500  -21.7700
            28  O2a O    17.2900  -25.2700
            29  C1a C    16.0300  -25.9700
            30  O3c O    21.1400  -24.8500
            31  O3c O    22.8200  -25.0600
            32  Z   Na   32.4100  -25.4100 #+
BOND        32
            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     7   8 1
            9     4   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   17  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2
            25   16  24 1
            26   24  25 1
            27    1  26 1
            28   26  27 1
            29    3  28 1
            30   28  29 1
            31   11  30 2
            32   11  31 2

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