KEGG   DRUG: Deslorelin
Entry
D03694                      Drug                                   

Name
Deslorelin (USAN/INN)
Formula
C64H83N17O12
Exact mass
1281.6407
Mol weight
1282.4505
Structure
Simcomp
Class
Antineoplastic
 DG01494  Gonadotropin-releasing hormone receptor agonist
Efficacy
Antineoplastic, Gonadotropin-releasing hormone receptor agonist (veterinary)
Comment
synthetic analog of gonadotropin-releasing hormone (GnRH)
Target
GNRHR [KO:K04280]
  Pathway
ko04080  Neuroactive ligand-receptor interaction
ko04912  GnRH signaling pathway
Interaction
Other DBs
CAS: 57773-65-6
PubChem: 47205885
ChEMBL: CHEMBL2365665
NIKKAJI: J533.712G
LinkDB
KCF data

ATOM        93
            1   C1b C    11.1300  -14.3500
            2   C8y C    12.3200  -13.6500
            3   C8x C    13.4400  -14.4200
            4   N4x N    14.4900  -13.6500
            5   C8y C    14.0700  -12.3900
            6   C8y C    12.8100  -12.3900
            7   C8x C    14.7700  -11.1300
            8   C8x C    14.0700   -9.9400
            9   C8x C    12.8100   -9.9400
            10  C8x C    12.0400  -11.1300
            11  C1c C    11.1300  -15.7500
            12  N1b N     9.9400  -16.4500
            13  C5a C    12.3200  -16.4500
            14  C5a C     8.7500  -15.7500
            15  C1c C     7.5600  -16.4500
            16  O5a O     8.7500  -14.3500
            17  N1b N     6.3700  -15.7500
            18  C1b C     7.5600  -17.8500
            19  C8y C     8.7500  -18.5500
            20  N4x N     8.7849  -19.9443
            21  C8x C    10.1300  -20.3324
            22  N5x N    10.9022  -19.1709
            23  C8x C    10.0590  -18.0534
            24  C5a C     5.1800  -16.4500
            25  C1y C     3.9900  -15.7500
            26  O5a O     5.1800  -17.8500
            27  N1x N     3.9900  -14.3500
            28  C5x C     2.5900  -13.7900
            29  C1x C     1.7500  -14.9800
            30  C1x C     2.5200  -16.1700
            31  O5x O     2.1700  -12.4600
            32  N1b N    13.5800  -15.7500
            33  O5a O    12.3200  -17.8500
            34  C1c C    14.7700  -16.4500
            35  C5a C    15.9600  -15.7500
            36  C1b C    14.7700  -17.8500
            37  N1b N    17.1500  -16.4500
            38  O5a O    15.9600  -14.3500
            39  C1c C    18.3400  -15.7500
            40  C5a C    19.5300  -16.4500
            41  C1b C    18.3400  -14.3500
            42  C8y C    19.5300  -13.5800
            43  C8x C    20.7200  -14.3500
            44  C8x C    21.9800  -13.5800
            45  C8y C    21.9800  -12.1800
            46  C8x C    20.7900  -11.4800
            47  C8x C    19.5300  -12.1800
            48  O1a O    23.2400  -11.4800
            49  N1b N    20.7200  -15.7500
            50  O5a O    19.5300  -17.8500
            51  C1c C    21.9100  -16.4500
            52  C5a C    23.1700  -15.7500
            53  C1b C    21.9100  -17.8500
            54  C8y C    23.1700  -18.5500
            55  C8y C    23.5900  -19.9500
            56  C8y C    24.9200  -19.9500
            57  N4x N    25.4100  -18.6200
            58  C8x C    24.2900  -17.7800
            59  C8x C    22.8200  -21.1400
            60  C8x C    23.5200  -22.4000
            61  C8x C    24.8500  -22.4000
            62  C8x C    25.6200  -21.2100
            63  N1b N    24.3600  -16.4500
            64  O5a O    23.1700  -14.3500
            65  C1c C    25.5500  -15.7500
            66  C1b C    25.5500  -14.3500
            67  C1c C    26.7400  -13.5800
            68  C1a C    28.0000  -14.3500
            69  C1a C    26.7400  -12.1800
            70  C5a C    26.7400  -16.4500
            71  N1b N    27.9300  -15.7500
            72  O5a O    26.7400  -17.8500
            73  C1c C    29.1900  -16.4500
            74  C5a C    30.3800  -15.6800
            75  C1b C    29.1900  -17.8500
            76  C1b C    30.3800  -18.5500
            77  C1b C    30.3800  -19.9500
            78  O5a O    30.3800  -14.2800
            79  O1a O    13.5800  -18.5500
            80  N1y N    31.6400  -16.3100
            81  C1x C    31.2200  -17.6400
            82  C1x C    32.3400  -18.4800
            83  C1x C    33.4600  -17.6400
            84  C1y C    33.0400  -16.3100
            85  C5a C    34.2300  -15.6100
            86  N1b N    35.4200  -16.3100
            87  O5a O    34.2300  -14.2100
            88  C1b C    36.6100  -15.6100
            89  C1a C    37.8000  -16.3100
            90  N1b N    29.1734  -20.6600
            91  C2c C    27.9637  -19.9747
            92  N2a N    27.9524  -18.5502
            93  N1a N    26.7433  -20.6929
BOND        100
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   6 1
            7     5   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    6  10 2
            12   11   1 1 #Up
            13   11  12 1
            14   11  13 1
            15   12  14 1
            16   14  15 1
            17   14  16 2
            18   15  17 1
            19   15  18 1 #Down
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   19  23 2
            26   17  24 1
            27   25  24 1 #Down
            28   24  26 2
            29   25  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   25  30 1
            34   28  31 2
            35   13  32 1
            36   13  33 2
            37   32  34 1
            38   34  35 1
            39   34  36 1 #Down
            40   35  37 1
            41   35  38 2
            42   37  39 1
            43   39  40 1
            44   39  41 1 #Up
            45   41  42 1
            46   42  43 2
            47   43  44 1
            48   44  45 2
            49   45  46 1
            50   46  47 2
            51   42  47 1
            52   45  48 1
            53   40  49 1
            54   40  50 2
            55   49  51 1
            56   51  52 1
            57   51  53 1 #Up
            58   53  54 1
            59   54  55 1
            60   55  56 1
            61   56  57 1
            62   57  58 1
            63   55  59 2
            64   59  60 1
            65   60  61 2
            66   61  62 1
            67   56  62 2
            68   58  54 2
            69   52  63 1
            70   52  64 2
            71   63  65 1
            72   65  66 1 #Up
            73   66  67 1
            74   67  68 1
            75   67  69 1
            76   65  70 1
            77   70  71 1
            78   70  72 2
            79   71  73 1
            80   73  74 1
            81   73  75 1 #Down
            82   75  76 1
            83   76  77 1
            84   74  78 2
            85   36  79 1
            86   74  80 1
            87   80  81 1
            88   81  82 1
            89   82  83 1
            90   83  84 1
            91   85  86 1
            92   84  85 1 #Down
            93   85  87 2
            94   86  88 1
            95   88  89 1
            96   80  84 1
            97   77  90 1
            98   90  91 1
            99   91  92 2
            100  91  93 1

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