KEGG   DRUG: OlcorolimusHelp
Entry
D10076                      Drug                                   

Name
Olcorolimus (USAN)
Formula
C51H81NO12
Exact mass
899.5759
Mol weight
900.1883
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01597  mTOR inhibitor
Activity
Inhibition of smooth muscle cell proliferation
Comment
Rapamycin [CPD:C07909] analogue
Target
mammalian target of rapamycin (mTOR) [HSA:2475] [KO:K07203]
  Pathway
mTOR signaling pathway
Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: Others
   PIKK family
    mammalian target of rapamycin (mTOR)
     Olcorolimus
      D10076  Olcorolimus (USAN)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        64
            1   N1y N    18.4100  -16.0300
            2   C1y C    19.6000  -15.3300
            3   C5a C    18.4100  -17.4300
            4   C1x C    17.1500  -15.3300
            5   C7a C    20.7900  -16.0300
            6   C1x C    19.6000  -13.9300
            7   C5a C    17.1500  -18.1300
            8   O5a O    19.6000  -18.1300
            9   C1x C    17.1500  -13.9300
            10  O7a O    21.9800  -15.3300
            11  O6a O    20.7900  -17.1500
            12  C1x C    18.4100  -13.1600
            13  C1z C    17.1500  -19.5300
            14  O5a O    16.0300  -17.3600
            15  C1c C    23.2400  -16.0300
            16  O2x O    18.3400  -20.2300
            17  C1y C    15.9600  -20.2300
            18  O1a O    17.1500  -20.9300
            19  C1c C    24.4300  -15.3300
            20  C1b C    23.2400  -17.4300
            21  C1y C    18.3400  -21.6300
            22  C1x C    15.9600  -21.5600
            23  C1a C    14.7700  -19.4600
            24  C1b C    25.6900  -16.0300
            25  C1a C    24.4300  -13.9300
            26  C1b C    24.4300  -18.1300
            27  C1b C    19.5300  -22.3300
            28  C1x C    17.1500  -22.3300
            29  C1y C    26.8800  -15.3300
            30  C1c C    24.4300  -19.5300
            31  C1c C    19.5300  -23.6600
            32  C1x C    28.0700  -16.0300
            33  C1x C    26.8800  -13.9300
            34  C2b C    25.6900  -20.2300
            35  C1a C    23.2400  -20.2300
            36  C2c C    20.7200  -24.3600
            37  O2a O    18.3400  -24.3600
            38  C1y C    29.2600  -15.3300
            39  C1x C    28.0700  -13.2300
            40  C2c C    25.6900  -21.5600
            41  C2b C    20.7200  -25.7600
            42  C1a C    21.9800  -23.6600
            43  C1a C    18.3400  -25.7600
            44  C1y C    29.2600  -13.9300
            45  O2a O    30.5200  -16.0300
            46  C1c C    26.8800  -22.2600
            47  C1a C    24.4300  -22.2600
            48  C2b C    21.9100  -26.4600
            49  O1a O    30.5200  -13.1600
            50  C1c C    26.8800  -23.5900
            51  O1a O    28.0700  -21.5600
            52  C2b C    21.9100  -27.8600
            53  C5a C    28.0700  -24.2900
            54  O2a O    25.6200  -24.2900
            55  C2b C    23.1700  -28.5600
            56  C1c C    28.0700  -25.6900
            57  O5a O    29.2600  -23.5900
            58  C1a C    25.6200  -25.6900
            59  C2b C    24.3600  -27.8600
            60  C1b C    26.8800  -26.3900
            61  C1a C    29.2600  -26.3900
            62  C1c C    25.7600  -27.8600
            63  C1a C    26.1100  -29.1900
            64  C1a C    30.5200  -17.4300
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            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
            16   13  17 1
            17   13  18 1
            18   15  19 1
            19   15  20 1
            20   21  16 1
            21   17  22 1
            22   17  23 1
            23   19  24 1
            24   19  25 1
            25   20  26 1
            26   21  27 1
            27   21  28 1
            28   24  29 1
            29   26  30 1
            30   27  31 1
            31   29  32 1
            32   29  33 1
            33   30  34 1
            34   30  35 1
            35   31  36 1
            36   31  37 1
            37   32  38 1
            38   33  39 1
            39   34  40 2
            40   36  41 2
            41   36  42 1
            42   37  43 1
            43   38  44 1
            44   38  45 1
            45   40  46 1
            46   40  47 1
            47   41  48 1
            48   44  49 1
            49   46  50 1
            50   46  51 1
            51   48  52 2
            52   50  53 1
            53   50  54 1
            54   52  55 1
            55   53  56 1
            56   53  57 2
            57   54  58 1
            58   55  59 2
            59   56  60 1
            60   56  61 1
            61   59  62 1
            62   62  63 1
            63    9  12 1
            64   22  28 1
            65   39  44 1
            66   60  62 1
            67   45  64 1

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