KEGG   DRUG: ZotarolimusHelp
Entry
D06669                      Drug                                   

Name
Zotarolimus (USAN/INN)
Formula
C52H79N5O12
Exact mass
965.5725
Mol weight
966.21
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Immunosuppressant, mTOR inhibitor
Comment
Drug component of phosphorycholine polymer coated drug-eluting stent currently under evaluation for the prevention of coronary restenosis following stent replacement
Target
MTOR [HSA:2475] [KO:K07203]
  Pathway
hsa04150  mTOR signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   PIKK family
    MTOR
     D06669  Zotarolimus (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 221877-54-9
PubChem: 47208320
NIKKAJI: J2.155.474J
LinkDB All DBs
KCF data Show

ATOM        69
            1   N1y N    13.9968  -10.9875
            2   C1y C    15.1866  -10.2877
            3   C5a C    13.9968  -12.3872
            4   C1x C    12.7371  -10.2877
            5   C7a C    16.3763  -10.9875
            6   C1x C    15.1866   -8.8880
            7   C5a C    12.7371  -13.0870
            8   O5a O    15.1866  -13.0870
            9   C1x C    12.7371   -8.8880
            10  O7a O    17.5660  -10.2877
            11  O6a O    16.3763  -12.1073
            12  C1x C    13.9968   -8.1882
            13  C1z C    12.7371  -14.4867
            14  O5a O    11.5474  -12.3872
            15  C1c C    18.8258  -10.9875
            16  O2x O    13.9269  -15.1866
            17  C1y C    11.3374  -15.1866
            18  O1a O    12.7371  -15.8864
            19  C1c C    20.0155  -10.2877
            20  C1b C    18.8258  -12.3872
            21  C1y C    13.9269  -16.5863
            22  C1x C    11.3374  -16.5863
            23  C1a C    10.0777  -14.4867
            24  C1b C    21.2052  -10.9875
            25  C1a C    20.0155   -8.8880
            26  C5a C    20.0155  -13.0870
            27  C1b C    15.1166  -17.2861
            28  C1x C    12.7371  -17.2861
            29  C1y C    22.3949  -10.2877
            30  C1c C    20.0155  -14.4867
            31  O5a O    21.2052  -12.3872
            32  C1c C    15.1166  -18.6858
            33  C1x C    23.6547  -10.9875
            34  C1x C    22.3949   -8.8880
            35  C2b C    21.2052  -15.1866
            36  C1a C    18.8258  -15.1866
            37  C2c C    16.3063  -19.3856
            38  O2a O    13.9269  -19.3856
            39  C1y C    24.8444  -10.2877
            40  C1x C    23.6547   -8.1882
            41  C2c C    21.2052  -16.5863
            42  C2b C    16.3063  -20.7853
            43  C1a C    17.5660  -18.6858
            44  C1a C    13.9269  -20.7853
            45  C1y C    24.8444   -8.8880
            46  O2a O    26.0341  -10.9875
            47  C1c C    22.3949  -17.2861
            48  C1a C    20.0155  -17.2861
            49  C2b C    17.4961  -21.4852
            50  N4y N    26.0341   -8.1882
            51  C1a C    27.2239  -10.2877
            52  C1c C    22.3949  -18.6158
            53  O1a O    23.6547  -16.5163
            54  C2b C    17.4961  -22.8848
            55  C5a C    23.6547  -19.3156
            56  O2a O    21.2052  -19.3156
            57  C2b C    18.6858  -23.5847
            58  C1c C    23.6547  -20.7153
            59  O5a O    24.8444  -18.6158
            60  C1a C    21.2052  -20.7153
            61  C2b C    19.9455  -22.8848
            62  C1b C    22.3949  -21.4152
            63  C1a C    24.8444  -21.4152
            64  C1c C    21.3452  -22.8848
            65  C1a C    21.6951  -24.2145
            66  N5x N    27.1639   -9.0248
            67  N5x N    28.3097   -8.2098
            68  N5x N    27.8888   -6.8682
            69  C8x C    26.4827   -6.8540
BOND        73
            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 #Down
            50   46  51 1
            51   47  52 1
            52   47  53 1 #Up
            53   49  54 2
            54   52  55 1
            55   52  56 1 #Down
            56   54  57 1
            57   55  58 1
            58   55  59 2
            59   56  60 1
            60   57  61 2
            61   58  62 1
            62   58  63 1 #Down
            63   61  64 1
            64   64  65 1 #Down
            65    9  12 1
            66   22  28 1
            67   40  45 1
            68   62  64 1
            69   50  66 1
            70   66  67 2
            71   67  68 1
            72   68  69 2
            73   50  69 1

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