KEGG   DRUG: Gonadorelin
Entry
D08027                      Drug                                   

Name
Gonadorelin (INN);
Fertagyl (TN)
Formula
C55H75N17O13
Exact mass
1181.573
Mol weight
1182.2901
Structure
Simcomp
Sequence
Glp His Trp Ser Tyr Gly Leu Arg Pro Gly
  Type
Peptide
Class
Antineoplastic
 DG01494  Gonadotropin-releasing hormone receptor agonist
Remark
Same as: C07607
ATC code: H01CA01 V04CM01
Chemical structure group: DG00499
Product (DG00499): D03267<JP>
Efficacy
Gonadotropin-releasing hormone receptor agonist
Comment
Hypothalamic hormone, luteinizing hormone releasing hormone
Target
GNRHR [HSA:2798] [KO:K04280]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04912  GnRH signaling pathway
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
      D08027  Gonadorelin (INN)
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CM Tests for fertility disturbances
     V04CM01 Gonadorelin
      D08027  Gonadorelin (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D08027  Gonadorelin (INN)
Other DBs
CAS: 33515-09-2
PubChem: 96024720
ChEBI: 5520
ChEMBL: CHEMBL1007
DrugBank: DB00644
LigandBox: D08027
NIKKAJI: J17.598F
LinkDB
KCF data

ATOM        85
            1   C8y C    12.8832  -12.9525
            2   C8y C    12.4631  -14.2828
            3   C8y C    14.2834  -12.9525
            4   C8x C    12.1831  -11.6923
            5   C1b C    11.2729  -14.9129
            6   C8x C    13.5833  -15.0529
            7   N4x N    14.7035  -14.2828
            8   C8x C    14.9835  -11.7623
            9   C8x C    12.8832  -10.5021
            10  C1c C    11.2729  -16.3131
            11  C8x C    14.2834  -10.5021
            12  N1b N    10.0827  -17.0132
            13  C5a C    12.4631  -17.0132
            14  C5a C     8.8925  -16.3131
            15  N1b N    13.6533  -16.3131
            16  O5a O    12.4631  -18.4135
            17  C1c C     7.7023  -17.0132
            18  O5a O     8.8925  -14.9129
            19  C1c C    14.8435  -17.0132
            20  C1b C     7.7023  -18.4135
            21  N1b N     6.4421  -16.3131
            22  C5a C    16.0337  -16.3131
            23  C1b C    14.8435  -18.4135
            24  C8y C     8.8925  -19.1136
            25  C5a C     5.2519  -17.0132
            26  N1b N    17.2239  -17.0132
            27  O5a O    16.0337  -14.9129
            28  O1a O    16.0337  -19.0436
            29  C8x C    10.1527  -18.6235
            30  N4x N     8.8925  -20.5138
            31  C1y C     4.0617  -16.3131
            32  O5a O     5.2519  -18.4135
            33  C1c C    18.4141  -16.3131
            34  N5x N    11.0629  -19.7437
            35  C8x C    10.2227  -20.8639
            36  N1x N     4.0617  -14.9829
            37  C1x C     2.8014  -16.7332
            38  C1b C    18.4141  -14.9129
            39  C5a C    19.6043  -17.0132
            40  C5x C     2.8014  -14.5628
            41  C1x C     1.9613  -15.6830
            42  C8y C    19.6043  -14.2128
            43  N1b N    20.7945  -16.3131
            44  O5a O    19.6043  -18.3435
            45  O5x O     2.3114  -13.2326
            46  C8x C    20.7945  -14.9129
            47  C8x C    19.6043  -12.8125
            48  C1b C    22.0548  -16.9432
            49  C8x C    22.0548  -14.2128
            50  C8x C    20.7945  -12.1124
            51  C5a C    23.2450  -16.3131
            52  C8y C    22.0548  -12.8125
            53  N1b N    24.4352  -16.9432
            54  O5a O    23.2450  -14.9129
            55  O1a O    23.2450  -12.1124
            56  C1c C    25.6254  -16.3131
            57  C5a C    26.8156  -16.9432
            58  C1b C    25.6254  -14.9129
            59  N1b N    28.0058  -16.2431
            60  O5a O    26.8156  -18.3435
            61  C1c C    26.8156  -14.2128
            62  C1c C    29.1960  -16.9432
            63  C1a C    26.8156  -12.8125
            64  C1a C    28.0058  -14.9129
            65  C5a C    30.3862  -16.2431
            66  C1b C    29.1960  -18.3435
            67  N1y N    31.5064  -16.9432
            68  O5a O    30.3862  -14.9129
            69  C1b C    28.0058  -19.0436
            70  C1y C    32.9066  -16.9432
            71  C1x C    31.1563  -18.2735
            72  C1b C    28.0058  -20.4438
            73  C1x C    33.3967  -18.2034
            74  C5a C    34.0968  -16.2431
            75  C1x C    32.2765  -19.0436
            76  N1b N    26.8156  -21.0739
            77  N1b N    35.2871  -16.9432
            78  O5a O    34.0968  -14.8429
            79  C2c C    25.6254  -20.4438
            80  N1a N    25.6254  -19.0436
            81  N2a N    24.3652  -21.0739
            82  C1b C    36.4983  -16.2503
            83  C5a C    37.6822  -16.9403
            84  N1a N    38.8808  -16.2547
            85  O5a O    37.6766  -18.3399
BOND        90
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9    10   5 1 #Up
            10    8  11 2
            11   10  12 1
            12   10  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 1 #Down
            20   17  21 1
            21   19  22 1
            22   19  23 1 #Down
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26   22  27 2
            27   23  28 1
            28   24  29 2
            29   24  30 1
            30   31  25 1 #Down
            31   25  32 2
            32   26  33 1
            33   29  34 1
            34   30  35 1
            35   31  36 1
            36   31  37 1
            37   33  38 1 #Up
            38   33  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   39  43 1
            43   39  44 2
            44   40  45 2
            45   42  46 2
            46   42  47 1
            47   43  48 1
            48   46  49 1
            49   47  50 2
            50   48  51 1
            51   49  52 2
            52   51  53 1
            53   51  54 2
            54   52  55 1
            55   53  56 1
            56   56  57 1
            57   56  58 1 #Up
            58   57  59 1
            59   57  60 2
            60   58  61 1
            61   59  62 1
            62   61  63 1
            63   61  64 1
            64   62  65 1
            65   62  66 1 #Down
            66   65  67 1
            67   65  68 2
            68   66  69 1
            69   67  70 1
            70   67  71 1
            71   69  72 1
            72   70  73 1
            73   70  74 1 #Down
            74   71  75 1
            75   72  76 1
            76   74  77 1
            77   74  78 2
            78   76  79 1
            79   79  80 1
            80   79  81 2
            81    6   7 1
            82    9  11 1
            83   34  35 2
            84   40  41 1
            85   50  52 1
            86   73  75 1
            87   77  82 1
            88   82  83 1
            89   83  84 1
            90   83  85 2

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