KEGG   DRUG: Buserelin
Entry
D07259                      Drug                                   

Name
Buserelin (INN);
Tiloryth (TN)
Formula
C60H86N16O13
Exact mass
1238.656
Mol weight
1239.4242
Structure
Simcomp
Class
Hormonal agent
 DG01494  Gonadotropin-releasing hormone receptor agonist
Remark
ATC code: L02AE01
Chemical structure group: DG00729
Product (DG00729): D01831<JP>
Efficacy
Anti-endometriosis, Gonadotropin-releasing hormone receptor agonist
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]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AE Gonadotropin releasing hormone analogues
     L02AE01 Buserelin
      D07259  Buserelin (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01494  Gonadotropin-releasing hormone receptor agonist
   DG00729  Buserelin
    D07259  Buserelin
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D07259  Buserelin (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01494  Gonadotropin-releasing hormone receptor agonist
   DG00729  Buserelin
Other DBs
CAS: 57982-77-1
PubChem: 51091597
ChEMBL: CHEMBL2110824
LigandBox: D07259
NIKKAJI: J14.642K
LinkDB
KCF data

ATOM        89
            1   C1y C    39.8586  -18.5649
            2   N1y N    38.4574  -18.5649
            3   C1x C    38.0370  -19.8961
            4   C1x C    39.1580  -20.7368
            5   C1x C    40.2790  -19.8961
            6   C8x C    21.7829  -12.8900
            7   C8x C    21.0823  -11.6990
            8   C8x C    19.6811  -11.6990
            9   C8x C    18.9805  -12.8900
            10  C8y C    21.0823  -14.0810
            11  C8y C    19.6811  -14.0810
            12  C8y C    19.2607  -15.4122
            13  C8x C    20.3817  -16.1829
            14  N4x N    21.5027  -15.4122
            15  C1b C    36.0753  -20.4566
            16  C5a C    19.2607  -18.6350
            17  N1b N    20.4518  -17.9344
            18  C1c C    21.6428  -18.6350
            19  C5a C    22.8338  -17.9344
            20  N1b N    24.0249  -18.6350
            21  C1c C    25.2159  -17.9344
            22  C5a C    26.4069  -18.6350
            23  N1b N    27.5980  -17.9344
            24  C1c C    28.7890  -18.6350
            25  C5a C    29.9800  -17.9344
            26  N1b N    31.2411  -18.6350
            27  C1c C    32.4322  -17.9344
            28  C5a C    33.6232  -18.6350
            29  N1b N    34.8843  -17.9344
            30  C1c C    36.0753  -18.6350
            31  C5a C    37.2664  -17.9344
            32  O5a O    22.8338  -16.6032
            33  C1b C    25.2159  -16.2529
            34  C8y C    26.4069  -15.5523
            35  C8x C    27.5980  -16.1829
            36  C8x C    28.7890  -15.5523
            37  C8y C    28.7890  -14.1511
            38  C8x C    27.5980  -13.4505
            39  C8x C    26.4069  -14.1511
            40  O1a O    29.9800  -13.4505
            41  O5a O    26.4069  -20.0362
            42  C1b C    28.7890  -20.0362
            43  O5a O    29.9800  -16.5332
            44  O5a O    37.2664  -16.5332
            45  O5a O    33.6232  -19.9661
            46  C1c C    18.0697  -17.9344
            47  N1b N    16.8787  -18.6350
            48  C5a C    15.6176  -17.9344
            49  C1c C    14.4265  -18.6350
            50  N1b N    13.2355  -17.9344
            51  C5a C    12.0444  -18.6350
            52  O5a O    19.2607  -20.0362
            53  C1b C    18.0697  -16.1829
            54  O5a O    15.6176  -16.6032
            55  C1b C    14.4265  -20.0362
            56  C8y C    15.6176  -20.7368
            57  N4x N    15.6176  -22.1380
            58  C8x C    16.9487  -22.5584
            59  N5x N    17.7894  -21.5075
            60  C8x C    17.0188  -20.3164
            61  O5a O    12.0444  -20.0362
            62  C1b C    21.6428  -20.0362
            63  O1a O    22.8338  -20.7368
            64  O2a O    27.5980  -20.6668
            65  C1d C    27.5980  -22.0680
            66  C1a C    27.5980  -23.4692
            67  C1y C    10.8534  -17.9344
            68  N1x N    10.8534  -16.6032
            69  C5x C     9.5223  -16.1829
            70  C1x C     8.6815  -17.3038
            71  C1x C     9.5223  -18.4248
            72  O5x O     9.1019  -14.8517
            73  C1a C    26.2668  -22.0680
            74  C1a C    28.9992  -22.0680
            75  C1b C    37.2664  -21.1572
            76  C1b C    37.2664  -22.5584
            77  N1b N    36.0753  -23.1889
            78  C2c C    34.8843  -22.4183
            79  N1a N    33.6232  -23.0488
            80  N2a N    34.8843  -21.0171
            81  C5a C    41.0497  -17.8643
            82  N1b N    42.2407  -18.5649
            83  O5a O    41.0497  -16.4631
            84  C1b C    43.4317  -17.8643
            85  C1a C    44.6228  -18.5649
            86  C1b C    32.4322  -16.5332
            87  C1c C    33.6933  -15.8325
            88  C1a C    34.8843  -16.5332
            89  C1a C    33.6933  -14.4313
BOND        94
            1    34  35 2
            2    35  36 1
            3    36  37 2
            4    37  38 1
            5    38  39 2
            6    39  34 1
            7    37  40 1
            8    22  41 2
            9    24  42 1 #Up
            10   16  17 1
            11   25  43 2
            12   17  18 1
            13   18  19 1
            14   28  45 2
            15   30  15 1 #Down
            16    1   2 1
            17   31  44 2
            18   19  20 1
            19    2   3 1
            20   16  46 1
            21   20  21 1
            22   46  47 1
            23    3   4 1
            24   47  48 1
            25   21  22 1
            26   48  49 1
            27    4   5 1
            28   49  50 1
            29   22  23 1
            30   50  51 1
            31    5   1 1
            32   16  52 2
            33   23  24 1
            34   46  53 1 #Up
            35    6   7 2
            36   48  54 2
            37   24  25 1
            38   49  55 1 #Down
            39    7   8 1
            40   55  56 1
            41   25  26 1
            42    8   9 2
            43   26  27 1
            44    9  11 1
            45   56  57 1
            46   57  58 1
            47   58  59 2
            48   59  60 1
            49   60  56 2
            50   27  28 1
            51   51  61 2
            52   10   6 1
            53   18  62 1 #Down
            54   28  29 1
            55   62  63 1
            56   53  12 1
            57   42  64 1
            58   29  30 1
            59   64  65 1
            60   30  31 1
            61   31   2 1
            62   65  66 1
            63   19  32 2
            64   21  33 1 #Up
            65   33  34 1
            66   67  51 1 #Down
            67   10  11 2
            68   11  12 1
            69   12  13 2
            70   13  14 1
            71   67  68 1
            72   68  69 1
            73   69  70 1
            74   70  71 1
            75   67  71 1
            76   14  10 1
            77   69  72 2
            78   65  73 1
            79   65  74 1
            80   15  75 1
            81   75  76 1
            82   76  77 1
            83   77  78 1
            84   78  79 1
            85   78  80 2
            86   81  82 1
            87    1  81 1 #Down
            88   81  83 2
            89   82  84 1
            90   84  85 1
            91   27  86 1 #Up
            92   86  87 1
            93   87  88 1
            94   87  89 1

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