KEGG   COMPOUND: C15183Help
Entry
C15183                      Compound                               

Name
AP 23573;
42-(Dimethylphosphinate)rapamycin;
Deforolimus
Formula
C53H84NO14P
Exact mass
989.5629
Mol weight
990.2061
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Pathway
mTOR signaling pathway
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE19 Ridaforolimus
      D08900  Ridaforolimus (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: Others
   PIKK family
    mammalian target of rapamycin (mTOR)
     Ridaforolimus
      D08900  Ridaforolimus (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
572924-54-0
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        69
            1   N1y N    28.4650  -22.5237
            2   C1y C    29.6538  -21.8244
            3   C5a C    28.4650  -23.9224
            4   C1x C    27.2063  -21.8244
            5   C7a C    30.8425  -22.5237
            6   C1x C    29.6538  -20.4259
            7   C5a C    27.2063  -24.6216
            8   O5a O    29.6538  -24.6216
            9   C1x C    27.2063  -20.4259
            10  O7a O    32.0314  -21.8244
            11  O6a O    30.8425  -23.6426
            12  C1x C    28.4650  -19.6567
            13  C1z C    27.2063  -26.0202
            14  O5a O    26.0175  -23.8524
            15  C1c C    33.2902  -22.5237
            16  O2x O    28.3950  -26.7196
            17  C1y C    25.9475  -26.7196
            18  O1a O    27.2063  -27.4188
            19  C1c C    34.4789  -21.8244
            20  C1b C    33.2902  -23.9224
            21  C1y C    28.3950  -28.1181
            22  C1x C    25.9475  -28.0482
            23  C1a C    24.7587  -25.9503
            24  C1b C    35.7377  -22.5237
            25  C1a C    34.4789  -20.4259
            26  C5a C    34.4789  -24.6216
            27  C1b C    29.5839  -28.8174
            28  C1x C    27.2063  -28.8174
            29  C1y C    36.9265  -21.8244
            30  C1c C    34.4789  -26.0202
            31  O5a O    35.7377  -23.8524
            32  C1c C    29.5839  -30.2160
            33  C1x C    38.1152  -22.5237
            34  C1x C    36.9265  -20.4259
            35  C2b C    35.7377  -26.7196
            36  C1a C    33.2902  -26.7196
            37  C2c C    30.7727  -30.9153
            38  O2a O    28.3950  -30.9153
            39  C1y C    39.3040  -21.8244
            40  C1x C    38.1152  -19.7266
            41  C2c C    35.7377  -28.0482
            42  C2b C    30.7727  -32.3139
            43  C1a C    32.0314  -30.2160
            44  C1a C    28.3950  -32.3139
            45  C1y C    39.3040  -20.4259
            46  O2a O    40.5627  -22.5237
            47  C1c C    36.9265  -28.7474
            48  C1a C    34.4789  -28.7474
            49  C2b C    31.9615  -33.0132
            50  O2b O    40.5627  -19.6567
            51  C1c C    36.9265  -30.1461
            52  O1a O    38.1152  -28.0482
            53  C2b C    31.9615  -34.4118
            54  C5a C    38.1152  -30.8454
            55  O2a O    35.6677  -30.8454
            56  C2b C    33.2202  -35.1111
            57  C1c C    38.1152  -32.2439
            58  O5a O    39.3040  -30.1461
            59  C1a C    35.6677  -32.2439
            60  C2b C    34.4090  -34.4118
            61  C1b C    36.9265  -32.9433
            62  C1a C    39.3040  -32.9433
            63  C1c C    35.8076  -34.4118
            64  C1a C    36.1572  -35.7404
            65  C1a C    40.5627  -23.9232
            66  P1a P    41.9622  -19.6567
            67  C1a C    43.3616  -19.6567
            68  C1a C    41.9622  -21.0561
            69  O3b O    41.9622  -18.2573
BOND        72
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14   10  15 1
            15   13  16 1 #Down
            16   13  17 1
            17   13  18 1 #Up
            18   15  19 1
            19   15  20 1
            20   21  16 1 #Down
            21   17  22 1
            22   17  23 1 #Up
            23   19  24 1
            24   19  25 1 #Down
            25   20  26 1
            26   21  27 1
            27   21  28 1
            28   24  29 1
            29   26  30 1
            30   26  31 2
            31   27  32 1
            32   29  33 1
            33   29  34 1
            34   30  35 1
            35   30  36 1 #Up
            36   32  37 1
            37   32  38 1 #Up
            38   33  39 1
            39   34  40 1
            40   35  41 2
            41   37  42 2
            42   37  43 1
            43   38  44 1
            44   39  45 1
            45   39  46 1 #Down
            46   41  47 1
            47   41  48 1
            48   42  49 1
            49   45  50 1 #Up
            50   47  51 1
            51   47  52 1 #Up
            52   49  53 2
            53   51  54 1
            54   51  55 1 #Down
            55   53  56 1
            56   54  57 1
            57   54  58 2
            58   55  59 1
            59   56  60 2
            60   57  61 1
            61   57  62 1 #Down
            62   60  63 1
            63   63  64 1 #Down
            64    9  12 1
            65   22  28 1
            66   40  45 1
            67   61  63 1
            68   46  65 1
            69   50  66 1
            70   66  67 1
            71   66  68 1
            72   66  69 2

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