KEGG   DRUG: Gonadorelin acetateHelp
Entry
D04361                      Drug                                   

Name
Gonadorelin acetate (USP);
Luteinizing (TN)
Formula
C55H75N17O12. (C2H4O2)x. yH2O
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01494  Gonadotropin-releasing hormone receptor agonist
Remark
ATC code: H01CA01 V04CM01
Chemical structure group: DG00499
Product (DG00499): D03267<JP>
Efficacy
Gonadotropin-releasing hormone receptor agonist
Target
GNRHR [HSA:2798] [KO:K04280]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04912  GnRH signaling pathway
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01C HYPOTHALAMIC HORMONES
    H01CA Gonadotropin-releasing hormones
     H01CA01 Gonadorelin
      D04361  Gonadorelin acetate (USP)
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CM Tests for fertility disturbances
     V04CM01 Gonadorelin
      D04361  Gonadorelin acetate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D04361  Gonadorelin acetate (USP)
BRITE hierarchy
Other DBs
CAS: 52699-48-6
PubChem: 47206266
DrugBank: DB00644
LigandBox: D04361
NIKKAJI: J2.200.262G
KCF data Show

ATOM        89
            1   O6a O     6.5309  -23.2639
            2   C6a C     7.7376  -22.5671
            3   C1a C     8.9443  -23.2639
            4   O6a O     7.7376  -21.1738
            5   O0  O    15.1247  -23.4009
            6   C8y C    16.4462  -14.0675
            7   C8y C    16.0262  -15.3972
            8   C8y C    17.8459  -14.0675
            9   C8x C    15.7463  -12.8078
            10  C1b C    14.8365  -16.0271
            11  C8x C    17.1460  -16.1671
            12  N4x N    18.2658  -15.3972
            13  C8x C    18.5457  -12.8777
            14  C8x C    16.4462  -11.6180
            15  C1c C    14.8365  -17.4268
            16  C8x C    17.8459  -11.6180
            17  N1b N    13.6467  -18.1267
            18  C5a C    16.0262  -18.1267
            19  C5a C    12.4570  -17.4268
            20  N1b N    17.2160  -17.4268
            21  O5a O    16.0262  -19.5264
            22  C1c C    11.2672  -18.1267
            23  O5a O    12.4570  -16.0271
            24  C1c C    18.4058  -18.1267
            25  C1b C    11.2672  -19.5264
            26  N1b N    10.0075  -17.4268
            27  C5a C    19.5955  -17.4268
            28  C1b C    18.4058  -19.5264
            29  C8y C    12.4570  -20.2263
            30  C5a C     8.8177  -18.1267
            31  N1b N    20.7853  -18.1267
            32  O5a O    19.5955  -16.0271
            33  O1a O    19.5955  -20.1563
            34  C8x C    13.7167  -19.7364
            35  N4x N    12.4570  -21.6260
            36  C1y C     7.6279  -17.4268
            37  O5a O     8.8177  -19.5264
            38  C1c C    21.9751  -17.4268
            39  N5x N    14.6265  -20.8562
            40  C8x C    13.7867  -21.9759
            41  N1x N     7.6279  -16.0971
            42  C1x C     6.3682  -17.8468
            43  C1b C    21.9751  -16.0271
            44  C5a C    23.1648  -18.1267
            45  C5x C     6.3682  -15.6772
            46  C1x C     5.5283  -16.7970
            47  C8y C    23.1648  -15.3273
            48  N1b N    24.3546  -17.4268
            49  O5a O    23.1648  -19.4564
            50  O5x O     5.8783  -14.3475
            51  C8x C    24.3546  -16.0271
            52  C8x C    23.1648  -13.9275
            53  C1b C    25.6143  -18.1267
            54  C8x C    25.6143  -15.3273
            55  C8x C    24.3546  -13.2277
            56  C5a C    26.8042  -17.4268
            57  C8x C    25.6143  -13.9275
            58  N1b N    27.9940  -18.0567
            59  O5a O    26.8042  -16.0271
            60  C1c C    29.1837  -17.4268
            61  C5a C    30.3735  -18.0567
            62  C1b C    29.1837  -16.0271
            63  N1b N    31.5632  -17.3569
            64  O5a O    30.3735  -19.4564
            65  C1c C    30.3735  -15.3273
            66  C1c C    32.7530  -18.0567
            67  C1a C    30.3735  -13.9275
            68  C1a C    31.5632  -16.0271
            69  C5a C    33.9428  -17.3569
            70  C1b C    32.7530  -19.4564
            71  N1y N    35.0625  -18.0567
            72  O5a O    33.9428  -16.0271
            73  C1b C    31.5632  -20.1563
            74  C1y C    36.4623  -18.0567
            75  C1x C    34.7126  -19.3864
            76  C1b C    31.5632  -21.5560
            77  C1x C    36.9522  -19.3165
            78  C5a C    37.6520  -17.3569
            79  C1x C    35.8324  -20.1563
            80  N1b N    30.3735  -22.1859
            81  N1b N    38.8418  -18.0567
            82  O5a O    37.6520  -15.9571
            83  C2c C    29.1837  -21.5560
            84  N1a N    29.1837  -20.1563
            85  N2a N    27.9240  -22.1859
            86  C1b C    40.0618  -17.3589
            87  C5a C    41.2555  -18.0547
            88  N1a N    42.4492  -17.3719
            89  O5a O    41.2499  -19.4599
BOND        92
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     6   7 1
            5     6   8 2
            6     6   9 1
            7     7  10 1
            8     7  11 2
            9     8  12 1
            10    8  13 1
            11    9  14 2
            12   15  10 1 #Up
            13   13  16 2
            14   15  17 1
            15   15  18 1
            16   17  19 1
            17   18  20 1
            18   18  21 2
            19   19  22 1
            20   19  23 2
            21   20  24 1
            22   22  25 1 #Down
            23   22  26 1
            24   24  27 1
            25   24  28 1 #Down
            26   25  29 1
            27   26  30 1
            28   27  31 1
            29   27  32 2
            30   28  33 1
            31   29  34 2
            32   29  35 1
            33   36  30 1 #Down
            34   30  37 2
            35   31  38 1
            36   34  39 1
            37   35  40 1
            38   36  41 1
            39   36  42 1
            40   38  43 1 #Up
            41   38  44 1
            42   41  45 1
            43   42  46 1
            44   43  47 1
            45   44  48 1
            46   44  49 2
            47   45  50 2
            48   47  51 2
            49   47  52 1
            50   48  53 1
            51   51  54 1
            52   52  55 2
            53   53  56 1
            54   54  57 2
            55   56  58 1
            56   56  59 2
            57   58  60 1
            58   60  61 1
            59   60  62 1 #Up
            60   61  63 1
            61   61  64 2
            62   62  65 1
            63   63  66 1
            64   65  67 1
            65   65  68 1
            66   66  69 1
            67   66  70 1 #Down
            68   69  71 1
            69   69  72 2
            70   70  73 1
            71   71  74 1
            72   71  75 1
            73   73  76 1
            74   74  77 1
            75   74  78 1 #Down
            76   75  79 1
            77   76  80 1
            78   78  81 1
            79   78  82 2
            80   80  83 1
            81   83  84 1
            82   83  85 2
            83   11  12 1
            84   14  16 1
            85   39  40 2
            86   45  46 1
            87   55  57 1
            88   77  79 1
            89   81  86 1
            90   86  87 1
            91   87  88 1
            92   87  89 2
BRACKET     1     5.0400  -24.1500    5.0400  -20.4400
            1    10.6400  -20.4400   10.6400  -24.1500
            1  x
 ORIGINAL  1    1   2   3   4
 REPEAT    1
            2    13.0900  -24.1500   13.0900  -22.5400
            2    15.7500  -22.5400   15.7500  -24.1500
            2  y
 ORIGINAL  2    5
 REPEAT    2

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