KEGG   DRUG: Zoldonrasib
Entry
D13250                      Drug                                   
Name
Zoldonrasib (USAN/INN)
Formula
C63H88F3N11O7
Exact mass
1167.6820
Mol weight
1168.44
Structure
Efficacy
Antineoplastic
Comment
Treatment of patients with advanced solid tumors harboring RAS G12D mutations
Target
KRAS* [HSA_VAR:3845v1] [HSA:3845] [KO:K07827]
  Pathway
hsa04014  Ras signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Environmental information processing
   G protein
    KRAS* [HSA_VAR:3845v1]
     D13250  Zoldonrasib (USAN/INN)
Other DBs
PubChem: 527701153
LinkDB
KCF data

ATOM        84
            1   C8y C    14.7000  -17.2200
            2   C8y C    14.7000  -18.6200
            3   C8x C    15.8900  -19.3200
            4   C8x C    17.1500  -18.6200
            5   C8y C    17.1500  -17.2200
            6   C8x C    15.8900  -16.5200
            7   C8y C    13.3700  -16.8000
            8   C8y C    12.5300  -17.9200
            9   N4y N    13.3700  -19.0400
            10  C8y C    11.1300  -17.9200
            11  C8x C    10.4300  -16.7300
            12  C8y C     9.0300  -16.7300
            13  C8x C     8.3300  -17.9200
            14  N5x N     9.0300  -19.1100
            15  C8y C    10.4300  -19.1100
            16  C1c C    11.1300  -20.3000
            17  C1a C    12.5300  -20.3000
            18  O2a O    10.4300  -21.4900
            19  C1a C     9.0300  -21.4900
            20  N1y N     8.3300  -15.5400
            21  C1x C     9.0300  -14.3500
            22  C1x C     8.3300  -13.0900
            23  N1y N     6.9300  -13.0900
            24  C1x C     6.2300  -14.2800
            25  C1x C     6.9300  -15.5400
            26  C1y C     6.2300  -11.9000
            27  C1x C     4.9700  -11.2000
            28  C1x C     6.1600  -10.5000
            29  N1y N    18.3400  -16.5200
            30  C1x C    19.6000  -17.2200
            31  C1x C    20.7900  -16.5200
            32  O2x O    20.7900  -15.1200
            33  C1y C    19.5300  -14.4200
            34  C1x C    18.3400  -15.1200
            35  C1x C    19.5300  -13.0200
            36  C1y C    20.7200  -12.3200
            37  C5x C    20.7200  -10.9200
            38  O5x O    21.9100  -10.2200
            39  N1y N    19.5300  -10.2200
            40  C1x C    19.5300   -8.8200
            41  C1x C    18.2700   -8.1200
            42  C1x C    17.0800   -8.8200
            43  C1y C    17.0800  -10.2200
            44  N1x N    18.2700  -10.9200
            45  C7x C    15.8900  -10.9200
            46  O6a O    14.7000  -10.2200
            47  O7x O    15.8900  -12.3200
            48  C1x C    14.7000  -13.0200
            49  C1z C    14.7000  -14.4200
            50  C1x C    13.3700  -15.1200
            51  C1a C    14.7000  -15.8200
            52  C1a C    16.1000  -14.4200
            53  N1b N    21.9100  -13.0200
            54  C5a C    23.1000  -12.3200
            55  C1c C    24.2900  -13.0200
            56  O5a O    23.1000  -10.9200
            57  N1y N    25.4800  -12.3200
            58  C1y C    24.2900  -14.4200
            59  C1x C    23.1000  -15.1900
            60  C1x C    23.4500  -16.5200
            61  C1x C    24.8500  -16.5900
            62  C1x C    25.3400  -15.2600
            63  C1x C    26.8100  -12.7400
            64  C1z C    27.6500  -11.6200
            65  C1x C    26.8100  -10.5000
            66  C1x C    25.4800  -10.9200
            67  C1x C    28.4200  -12.7400
            68  C1x C    29.8200  -12.3200
            69  N1y N    29.8200  -10.9200
            70  C1x C    28.4900  -10.5000
            71  C5a C    31.0100  -10.2200
            72  O5a O    31.0100   -8.8200
            73  C1y C    32.2000  -10.9200
            74  C1y C    33.6000  -10.9200
            75  N1y N    32.9000   -9.7300
            76  C1y C    34.7900  -11.6200
            77  C1x C    35.2796  -12.9109
            78  C1x C    36.1562  -11.8193
            79  C1a C    32.9000   -8.3300
            80  C1b C    13.3700  -20.4400
            81  C1d C    14.5824  -21.1400
            82  X   F    15.7949  -21.8400
            83  X   F    13.8824  -22.3524
            84  X   F    15.2824  -19.9276
BOND        96
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    2   9 1
            11    8  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   15  16 1
            19   16  17 1
            20   16  18 1
            21   18  19 1
            22   12  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29   23  26 1
            30   27  26 1
            31   26  28 1
            32   28  27 1
            33    5  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   29  34 1
            40   33  35 1
            41   35  36 1
            42   36  37 1
            43   37  38 2
            44   37  39 1
            45   39  40 1
            46   40  41 1
            47   41  42 1
            48   42  43 1
            49   43  44 1
            50   39  44 1
            51   43  45 1
            52   45  46 2
            53   45  47 1
            54   47  48 1
            55   48  49 1
            56   49  50 1
            57   50   7 1
            58   49  51 1
            59   49  52 1
            60   36  53 1 #Up
            61   53  54 1
            62   54  55 1
            63   54  56 2
            64   55  57 1
            65   55  58 1 #Up
            66   58  59 1
            67   59  60 1
            68   60  61 1
            69   61  62 1
            70   58  62 1
            71   57  63 1
            72   64  63 1 #Up
            73   64  65 1 #Down
            74   65  66 1
            75   57  66 1
            76   64  67 1
            77   67  68 1
            78   68  69 1
            79   69  70 1
            80   64  70 1
            81   71  69 1
            82   71  72 2
            83   71  73 1
            84   73  74 1
            85   74  75 1
            86   75  73 1
            87   74  76 1
            88   77  78 1
            89   78  76 1
            90   76  77 1
            91   75  79 1
            92    9  80 1
            93   80  81 1
            94   81  82 1
            95   81  83 1
            96   81  84 1

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