KEGG   DRUG: Olcorolimus
Entry
D10076                      Drug                                   
Name
Olcorolimus (USAN)
Formula
C51H81NO12
Exact mass
899.5759
Mol weight
900.19
Structure
Simcomp
Class
Antineoplastic
 DG01597  mTOR inhibitor
Efficacy
Immunosuppressant, mTOR inhibitor
Comment
Rapamycin [CPD:C07909] analog
Inhibition of smooth muscle cell proliferation
Target
MTOR [HSA:2475] [KO:K07203]
  Pathway
hsa04150  mTOR signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01597  mTOR inhibitor
   D10076  Olcorolimus
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    MTOR
     D10076  Olcorolimus (USAN)
Other DBs
PubChem: 135626796
LigandBox: D10076
LinkDB
KCF data

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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