KEGG   DRUG: D10154Help
Entry
D10154                      Drug                                   

Name
Rigosertib (USAN)
Formula
C21H25NO8S
Exact mass
451.1301
Mol weight
451.4901
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
      D10154  Rigosertib (USAN)
BRITE hierarchy
Other DBs
CAS: 
592542-59-1
PubChem: 
LigandBox: 
KCF data Show

ATOM        31
            1   C8y C    15.6100  -17.2200
            2   C8x C    15.6100  -18.6200
            3   C8y C    16.8224  -19.3200
            4   C8y C    18.0349  -18.6200
            5   C8y C    18.0349  -17.2200
            6   C8x C    16.8224  -16.5200
            7   O2a O    19.2660  -16.5090
            8   C1a C    19.2657  -15.1201
            9   C2b C    19.2660  -19.3310
            10  C2b C    20.4712  -18.6353
            11  S4a S    21.6535  -19.3181
            12  C1b C    22.8475  -18.6288
            13  C8y C    24.0354  -19.3148
            14  C8x C    24.0354  -20.7198
            15  C8x C    25.2478  -21.4198
            16  C8y C    26.4603  -20.7198
            17  C8y C    26.4603  -19.3148
            18  C8x C    25.2479  -18.6148
            19  N1b N    27.6703  -18.6163
            20  C1b C    28.8690  -19.3086
            21  C6a C    30.0548  -18.6240
            22  O6a O    31.2467  -19.3125
            23  O6a O    30.0550  -17.2202
            24  O2a O    27.6726  -21.4198
            25  C1a C    28.8679  -20.7295
            26  O2a O    14.3976  -16.5200
            27  C1a C    13.2021  -17.2104
            28  O2a O    16.8224  -20.7198
            29  C1a C    15.5932  -21.4297
            30  O3c O    20.6636  -20.3081
            31  O3c O    22.3535  -20.5306
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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