KEGG   DRUG: D08113Help
Entry
D08113                      Drug                                   

Name
Leuprorelin (INN);
Enantone (TN)
Formula
C59H84N16O12
Exact mass
1208.6455
Mol weight
1209.3983
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic;
LH-RH agonist [DS:H00024]
Remark
Same as: 
ATC code: 
Drug group: 
Comment
Antiandrogens
Leuprorelin cause downregulation of gonadotropin-releasing hormone (GnRH) receptor.
Indication: Prostatic cancer
Target
gonadotropin-releasing hormone (GnRH) receptor agonist [HSA:2798] [KO:K04280]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04912  GnRH signaling pathway  
 
Interaction
Drug interaction
Structure map
Antineoplastics - hormones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AE Gonadotropin releasing hormone analogues
     L02AE02 Leuprorelin
      D08113  Leuprorelin (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    gonadotropin-releasing hormone (GnRH) receptor
     Leuprorelin
      D08113  Leuprorelin (INN)
Antineoplastics [BR:br08308]
 Hormones and hormone antagonists
  Lutenizing hormone-releasing hormone agonist
   Leuprorelin
    D08113  Leuprorelin (INN)
BRITE hierarchy
Other DBs
CAS: 
53714-56-0
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        87
            1   C8y C    19.5026  -16.4246
            2   C8y C    19.9219  -15.1666
            3   C1b C    18.3145  -17.1235
            4   C8x C    20.6208  -17.2633
            5   C8y C    21.2498  -15.1666
            6   C8x C    19.2230  -13.9785
            7   C1c C    18.3145  -18.8707
            8   N4x N    21.6692  -16.4246
            9   C8x C    21.9487  -13.9785
            10  C8x C    19.8520  -12.7904
            11  N1b N    17.1963  -19.5696
            12  C5a C    19.5026  -19.4997
            13  C8x C    21.2498  -12.7904
            14  C5a C    15.9383  -18.8707
            15  N1b N    20.6907  -18.8008
            16  O5a O    19.5026  -20.8975
            17  C1c C    14.8200  -19.5696
            18  O5a O    15.9382  -17.5428
            19  C1c C    21.8788  -19.4997
            20  N1b N    13.6319  -18.9406
            21  C5a C    23.0669  -18.8008
            22  C1b C    21.8788  -20.8975
            23  C5a C    12.4438  -19.6395
            24  N1b N    24.2551  -19.4997
            25  O5a O    23.0669  -17.4030
            26  O1a O    23.0669  -21.5265
            27  C1y C    11.2557  -18.9406
            28  O5a O    12.4438  -20.9674
            29  C1c C    25.4432  -18.8008
            30  C1x C     9.9977  -19.4997
            31  N1x N    11.0460  -17.6127
            32  C1b C    25.4432  -17.4030
            33  C5a C    26.6313  -19.4298
            34  C1x C     9.0891  -18.5213
            35  C5x C     9.7880  -17.3332
            36  C8y C    26.5614  -16.7042
            37  N1b N    27.8194  -18.7309
            38  O5a O    26.6313  -20.8276
            39  O5x O     9.1590  -16.0752
            40  C8x C    27.8194  -17.4030
            41  C8x C    26.5614  -15.3064
            42  C1c C    29.0774  -19.4298
            43  C8x C    28.9376  -16.7042
            44  C8x C    27.7495  -14.6075
            45  C5a C    30.2655  -18.7309
            46  C1b C    29.0774  -21.8061
            47  C8y C    29.0075  -15.3064
            48  N1b N    31.4536  -19.4298
            49  O5a O    30.2655  -17.4030
            50  O1a O    30.1956  -14.6075
            51  C1c C    32.6418  -18.7309
            52  C5a C    33.7600  -19.4298
            53  C1b C    32.6419  -16.9837
            54  N1b N    35.0180  -18.7309
            55  O5a O    33.7600  -20.8276
            56  C1c C    33.7600  -16.2848
            57  C1c C    36.2061  -19.4298
            58  C1a C    33.7600  -14.8870
            59  C1a C    34.9481  -16.9138
            60  C5a C    37.3942  -18.6611
            61  C1b C    36.2061  -20.7577
            62  N1y N    38.5823  -19.3599
            63  O5a O    37.3942  -17.3332
            64  C1b C    35.0180  -21.4566
            65  C1y C    39.9801  -19.3599
            66  C1x C    38.1630  -20.6878
            67  C1b C    35.0180  -22.8544
            68  C1x C    40.3994  -20.6878
            69  C5a C    41.2381  -18.6611
            70  C1x C    39.2812  -21.4566
            71  N1b N    33.8299  -23.4834
            72  N1b N    42.4961  -19.4298
            73  O5a O    41.2380  -17.1934
            74  C2c C    32.6418  -22.8544
            75  C1b C    42.4961  -20.8975
            76  N1a N    32.6418  -21.4566
            77  N2a N    31.4536  -23.4834
            78  C1a C    43.6143  -21.5964
            79  C1c C    27.8893  -22.4351
            80  C1a C    26.7012  -21.8061
            81  C1a C    27.8893  -23.9027
            82  C1b C    14.8709  -20.9997
            83  C8y C    16.0833  -21.6436
            84  C8x C    16.5217  -22.9650
            85  N5x N    17.9104  -22.9580
            86  C8x C    18.3330  -21.6351
            87  N4x N    17.2054  -20.8245
BOND        92
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    7  12 1
            12    9  13 2
            13   11  14 1
            14   12  15 1
            15   12  16 2
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24   21  25 2
            25   22  26 1
            26   23  27 1
            27   23  28 2
            28   24  29 1
            29   27  30 1
            30   27  31 1
            31   29  32 1
            32   29  33 1
            33   30  34 1
            34   31  35 1
            35   32  36 1
            36   33  37 1
            37   33  38 2
            38   35  39 2
            39   36  40 2
            40   36  41 1
            41   37  42 1
            42   40  43 1
            43   41  44 2
            44   42  45 1
            45   42  46 1
            46   43  47 2
            47   45  48 1
            48   45  49 2
            49   47  50 1
            50   48  51 1
            51   51  52 1
            52   51  53 1
            53   52  54 1
            54   52  55 2
            55   53  56 1
            56   54  57 1
            57   56  58 1
            58   56  59 1
            59   57  60 1
            60   57  61 1
            61   60  62 1
            62   60  63 2
            63   61  64 1
            64   62  65 1
            65   62  66 1
            66   64  67 1
            67   65  68 1
            68   65  69 1
            69   66  70 1
            70   67  71 1
            71   69  72 1
            72   69  73 2
            73   71  74 1
            74   72  75 1
            75   74  76 1
            76   74  77 2
            77    5   8 1
            78   10  13 1
            79   34  35 1
            80   44  47 1
            81   68  70 1
            82   75  78 1
            83   46  79 1
            84   79  80 1
            85   79  81 1
            86   17  82 1
            87   82  83 1
            88   83  84 2
            89   84  85 1
            90   85  86 2
            91   86  87 1
            92   83  87 1

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