KEGG   DRUG: LeuprorelinHelp
Entry
D08113                      Drug                                   

Name
Leuprorelin (INN);
Enantone (TN)
Formula
C59H84N16O12
Exact mass
1208.6455
Mol weight
1209.3983
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01494  Gonadotropin-releasing hormone receptor agonist
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Antineoplastic, Gonadotropin-releasing hormone receptor agonist
Target
GNRHR [HSA:2798] [KO:K04280]
  Pathway
Neuroactive ligand-receptor interaction
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)
BRITE hierarchy
Other DBs
CAS: 
53714-56-0
PubChem: 
ChEBI: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        87
            1   C1c C    18.9597  -23.3717
            2   N1b N    17.7703  -24.0014
            3   C5a C    20.2190  -24.0014
            4   C5a C    16.5809  -23.3717
            5   N1b N    21.3384  -23.3018
            6   O5a O    20.2190  -25.3307
            7   C1c C    15.3916  -24.0714
            8   O5a O    16.5809  -21.9025
            9   C1c C    22.5277  -23.9314
            10  N1b N    14.1323  -23.3717
            11  C5a C    23.7871  -23.3018
            12  C5a C    12.9429  -24.0714
            13  N1b N    24.9764  -23.9314
            14  O5a O    23.7871  -21.8326
            15  C1y C    11.7536  -23.4417
            16  O5a O    12.9429  -25.4706
            17  C1c C    26.1658  -23.2318
            18  C1x C    10.4942  -23.8615
            19  N1x N    11.7536  -21.9725
            20  C1b C    26.1658  -21.8326
            21  C5a C    27.3551  -23.9314
            22  C1x C     9.6547  -22.6721
            23  C5x C    10.4942  -21.6227
            24  C8y C    27.2852  -21.1329
            25  N1b N    28.6145  -23.2318
            26  O5a O    27.3551  -25.3307
            27  O5x O    10.0045  -20.2934
            28  C8x C    28.6145  -21.7626
            29  C8x C    27.2852  -19.7337
            30  C1c C    29.8738  -23.9314
            31  C8x C    29.8038  -21.0630
            32  C8x C    28.5445  -19.0341
            33  C5a C    31.0631  -23.2318
            34  C8y C    29.8038  -19.7337
            35  N1b N    32.2525  -23.9314
            36  O5a O    31.0631  -21.7626
            37  O1a O    30.9232  -19.0341
            38  C1c C    33.4419  -23.2318
            39  C5a C    34.6312  -23.8615
            40  N1b N    35.8206  -23.1619
            41  O5a O    34.6312  -25.2607
            42  C1c C    37.0099  -23.8615
            43  C5a C    38.2693  -23.1619
            44  C1b C    37.0099  -25.2607
            45  N1y N    39.5286  -23.7915
            46  O5a O    38.2693  -21.6926
            47  C1y C    40.8579  -23.7915
            48  C1x C    39.1088  -25.1208
            49  C1x C    41.2776  -25.1208
            50  C5a C    42.1871  -23.0919
            51  C1x C    40.1582  -25.8904
            52  N1b N    43.4465  -23.8615
            53  O5a O    42.1871  -21.5527
            54  C1b C    18.9597  -21.9025
            55  C8y C    20.2889  -21.2729
            56  C8y C    20.7087  -20.0136
            57  C8x C    21.4083  -22.0425
            58  C8y C    22.0380  -20.0136
            59  C8x C    20.0091  -18.8242
            60  N4x N    22.5277  -21.2729
            61  C8x C    22.7376  -18.7542
            62  C8x C    20.7087  -17.5649
            63  C8x C    22.0380  -17.5649
            64  C1b C    15.3916  -25.4706
            65  C8y C    16.5809  -26.1702
            66  C8x C    16.5809  -27.5695
            67  N5x N    17.8403  -28.0592
            68  C8x C    18.6798  -26.9398
            69  N4x N    17.9802  -25.7505
            70  C1b C    22.5277  -25.3307
            71  O1a O    23.7871  -26.0303
            72  C1b C    29.8738  -25.3307
            73  C1c C    31.1331  -26.0303
            74  C1a C    32.3225  -25.2607
            75  C1a C    31.1331  -27.4296
            76  C1b C    33.4419  -21.7626
            77  C1c C    34.6312  -21.0630
            78  C1a C    35.8905  -21.8326
            79  C1a C    34.6312  -19.6637
            80  C1b C    44.7058  -23.1619
            81  C1a C    45.8951  -23.8615
            82  C1b C    38.2693  -25.9603
            83  C1b C    38.2693  -27.4296
            84  N1b N    37.0099  -28.1292
            85  C2c C    35.8206  -27.4296
            86  N1a N    34.6312  -28.1292
            87  N2a N    35.8206  -25.9603
BOND        92
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   12  16 2
            16   13  17 1
            17   15  18 1
            18   15  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   21  26 2
            26   23  27 2
            27   24  28 2
            28   24  29 1
            29   25  30 1
            30   28  31 1
            31   29  32 2
            32   30  33 1
            33   31  34 2
            34   33  35 1
            35   33  36 2
            36   34  37 1
            37   35  38 1
            38   38  39 1
            39   39  40 1
            40   39  41 2
            41   40  42 1
            42   42  43 1
            43   42  44 1
            44   43  45 1
            45   43  46 2
            46   45  47 1
            47   45  48 1
            48   47  49 1
            49   47  50 1
            50   48  51 1
            51   50  52 1
            52   50  53 2
            53   22  23 1
            54   32  34 1
            55   49  51 1
            56    1  54 1
            57   54  55 1
            58   55  56 1
            59   56  58 2
            60   56  59 1
            61   57  60 1
            62   58  61 1
            63   59  62 2
            64   61  63 2
            65   58  60 1
            66   62  63 1
            67   57  55 2
            68    7  64 1
            69   64  65 1
            70   65  66 2
            71   66  67 1
            72   67  68 2
            73   68  69 1
            74   69  65 1
            75    9  70 1
            76   70  71 1
            77   30  72 1
            78   72  73 1
            79   73  74 1
            80   73  75 1
            81   38  76 1
            82   76  77 1
            83   77  78 1
            84   77  79 1
            85   52  80 1
            86   80  81 1
            87   44  82 1
            88   82  83 1
            89   83  84 1
            90   84  85 1
            91   85  86 1
            92   85  87 2

» Japanese version   » Back

DBGET integrated database retrieval system