KEGG   COMPOUND: C07909
Entry
C07909                      Compound                               
Name
Sirolimus;
Rapamycin
Formula
C51H79NO13
Exact mass
913.5551
Mol weight
914.17
Structure
Sequence
0 Ska  1 Mtk  2 Man  3 Mtd  4 Mtk  5 Man  6 Mte  7 Mtd  8 Mad
9 Mad  10 Mtk  11 Mak  12 Mae  13 Mtn  14 Man  15 Pip
  Gene
0-4 rapA [UP:Q54297]; 5-10 rapB [UP:Q54296]; 11-14 rapC
[UP:Q54299]; 15 rapP [UP:Q54298]
  Organism
Streptomyces hygroscopicus
  Type
PK
Remark
Same as: D00753
Pathway
map01052  Type I polyketide structures
map04211  Longevity regulating pathway
map04212  Longevity regulating pathway - worm
map04218  Cellular senescence
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C07909  Sirolimus (Rapamycin)
  PK06 Polyenes
   C07909  Sirolimus (Rapamycin)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EG Mammalian target of rapamycin (mTOR) kinase inhibitors
     L01EG04 Sirolimus
      D00753  Sirolimus (JAN/USAN/INN) <JP/US>
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AH Mammalian target of rapamycin (mTOR) kinase inhibitors
     L04AH01 Sirolimus
      D00753  Sirolimus (JAN/USAN/INN) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA23 Sirolimus
      D00753  Sirolimus (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Immunosuppressants
   mTOR Inhibitors
    Sirolimus
     D00753  Sirolimus (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00753  Sirolimus (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01597  mTOR inhibitor
   D00753  Sirolimus
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00753  Sirolimus
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    D00753  Sirolimus
 Transporter substrate
  DG01665  ABCB1 substrate
   D00753  Sirolimus
Drug classes [BR:br08332]
 Antineoplastic
  DG01597  mTOR inhibitor
   D00753  Sirolimus
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    MTOR
     D00753  Sirolimus (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D00753
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00753
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00753
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00753
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00753
 Drug transporters
  D00753
Other DBs
CAS: 53123-88-9
PubChem: 10111
ChEBI: 9168
LIPIDMAPS: LMPK06000003
KNApSAcK: C00018055
PDB-CCD: RAP[PDBj]
NIKKAJI: J137.896A
LinkDB
KCF data

ATOM        65
            1   N1y N    29.3831  -21.8402
            2   C1y C    30.5814  -21.1478
            3   C5a C    29.3715  -23.2362
            4   C1x C    28.1732  -21.1478
            5   C7a C    31.7856  -21.8459
            6   C1x C    30.5814  -19.7517
            7   C5a C    28.1556  -23.9343
            8   O5a O    30.5697  -23.9518
            9   C1x C    28.1732  -19.7517
            10  O7a O    32.9957  -21.1595
            11  O6a O    31.7915  -22.9628
            12  C1x C    29.3831  -19.0420
            13  C1z C    28.1440  -25.3304
            14  O5a O    26.9399  -23.2304
            15  C1c C    34.2056  -21.8518
            16  O2x O    29.3541  -26.0284
            17  C1y C    26.7188  -26.0227
            18  O1a O    28.1383  -26.7325
            19  C1c C    35.4157  -21.1654
            20  C1b C    34.2056  -23.2478
            21  C1y C    29.3425  -27.4363
            22  C1x C    26.7770  -27.4130
            23  C1a C    25.4973  -25.3187
            24  C1b C    36.6255  -21.8633
            25  C1a C    35.4098  -19.7633
            26  C5a C    35.4157  -23.9401
            27  C1b C    30.5350  -28.1401
            28  C1x C    28.1207  -28.1285
            29  C1y C    37.8298  -21.1595
            30  C1c C    35.4157  -25.3304
            31  O5a O    36.6255  -23.2304
            32  C1c C    30.5291  -29.5305
            33  C1x C    39.0396  -21.8518
            34  C1x C    37.8181  -19.7576
            35  C2b C    36.6255  -26.0227
            36  C1a C    34.1998  -26.0227
            37  C2c C    31.7333  -30.2343
            38  O2a O    29.3133  -30.2170
            39  C1y C    40.2497  -21.1537
            40  C1x C    39.0280  -19.0536
            41  C2c C    36.6255  -27.4130
            42  C2b C    31.7216  -31.6248
            43  C1a C    32.9375  -29.5305
            44  C1a C    29.3075  -31.6189
            45  C1y C    40.2438  -19.7517
            46  O2a O    41.4539  -21.8459
            47  C1c C    37.8298  -28.1110
            48  C1a C    35.4098  -28.1110
            49  C2b C    32.9258  -32.3343
            50  O1a O    41.4539  -19.0420
            51  C1a C    42.6638  -21.1421
            52  C1c C    37.8298  -29.5013
            53  O1a O    39.0339  -27.4013
            54  C2b C    32.9200  -33.7247
            55  C5a C    39.0339  -30.1878
            56  O2a O    36.6139  -30.1878
            57  C2b C    34.1183  -34.4286
            58  C1c C    39.0339  -31.5839
            59  O5a O    40.2438  -29.4897
            60  C1a C    36.6082  -31.5899
            61  C2b C    35.3282  -33.7247
            62  C1b C    37.8298  -32.2819
            63  C1a C    40.2438  -32.2819
            64  C1c C    36.7303  -33.7247
            65  C1a C    37.0850  -35.0743
BOND        68
            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   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

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