KEGG   DRUG: Triptorelin acetateHelp
Entry
D08649                      Drug                                   

Name
Triptorelin acetate;
Decapeptyl (TN)
Formula
C64H82N18O13. C2H4O2
Exact mass
1370.652
Mol weight
1371.5006
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01494  Gonadotropin-releasing hormone receptor agonist
Remark
ATC code: L02AE04
Chemical structure group: DG00732
Product (DG00732): D06248<US>
Efficacy
Antineoplastic, 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]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AE Gonadotropin releasing hormone analogues
     L02AE04 Triptorelin
      D08649  Triptorelin acetate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D08649  Triptorelin acetate
BRITE hierarchy
Other DBs
CAS: 140194-24-7
PubChem: 96025332
LigandBox: D08649
KCF data Show

ATOM        99
            1   O6a O    34.8442  -15.0079
            2   C6a C    36.0582  -14.3070
            3   C1a C    37.2723  -15.0079
            4   O6a O    36.0582  -12.9054
            5   C1y C     4.4770   -8.0462
            6   N1b N    24.9821   -8.8160
            7   C5a C    23.7224   -8.1862
            8   C1c C    22.5326   -8.8160
            9   N1b N    21.3429   -8.1862
            10  C5a C    20.1532   -8.8160
            11  O5a O    20.1532  -10.1457
            12  C1c C    18.9635   -8.1862
            13  N1b N    17.7738   -8.8160
            14  C5a C    16.6541   -8.1862
            15  C1c C    15.3944   -8.8160
            16  C1b C    15.3944  -10.4257
            17  N1b N    14.2047   -8.1862
            18  C5a C    13.0150   -8.8160
            19  O5a O    13.0150  -10.1457
            20  C1b C    22.5326  -10.9855
            21  C8y C    21.3429  -11.6853
            22  O5a O    23.7224   -6.7166
            23  C1c C    26.1718   -8.1862
            24  C5a C    27.2915   -8.8160
            25  N1b N    28.5512   -8.1862
            26  O5a O    27.2915  -10.1457
            27  C1c C    29.7409   -8.8160
            28  C5a C    30.9306   -8.1862
            29  C1b C    29.7409  -10.1457
            30  C1b C    28.5512  -10.8456
            31  C1b C    28.5512  -12.2452
            32  N1b N    27.3615  -12.8751
            33  C2c C    26.1718  -12.2452
            34  N2a N    26.1718  -10.7756
            35  N1a N    24.9821  -12.9450
            36  O5a O    30.9306   -6.7166
            37  N1y N    32.0503   -8.8860
            38  C1y C    33.5200   -8.8860
            39  C1x C    31.7004  -10.1457
            40  C1x C    32.9601  -10.8456
            41  C1x C    34.0099  -10.0058
            42  C1b C    18.9635   -6.5766
            43  C8y C    20.1532   -5.9467
            44  C8x C    21.2730   -6.5766
            45  C8x C    22.5326   -5.9467
            46  C8y C    22.5326   -4.5471
            47  C8x C    21.3429   -3.8472
            48  C8x C    20.1532   -4.5471
            49  O1a O    23.7224   -3.8472
            50  O5a O    16.6541   -6.7166
            51  C1c C    11.8252   -8.1862
            52  N1b N    10.5656   -8.8160
            53  C5a C     9.3758   -8.1862
            54  C1c C     8.2561   -8.8160
            55  C1b C     8.2561  -10.6356
            56  N1b N     7.0664   -8.1862
            57  C5a C     5.7367   -8.8160
            58  O5a O     5.7367  -10.1457
            59  O5a O     9.3758   -6.7166
            60  C8y C     9.3758  -11.3354
            61  N4x N     9.3758  -12.7351
            62  C8x C    10.6355  -13.1550
            63  N5x N    11.5453  -12.1052
            64  C8x C    10.6355  -10.9155
            65  C1x C     3.1474   -8.4661
            66  C1x C     2.3775   -7.2764
            67  C5x C     3.1474   -6.2267
            68  N1x N     4.4770   -6.5766
            69  O5x O     2.6575   -4.9670
            70  C1b C    11.8252   -6.7166
            71  C8y C    13.0150   -6.0867
            72  C8x C    14.0647   -6.7865
            73  N4x N    15.1144   -6.0867
            74  C8y C    14.6946   -4.8270
            75  C8y C    13.4349   -4.8270
            76  C8x C    15.4644   -3.5673
            77  C8x C    14.6946   -2.3076
            78  C8x C    13.4349   -2.3076
            79  C8x C    12.7350   -3.5673
            80  C8y C    19.4534  -13.0850
            81  C8y C    20.9230  -13.0850
            82  C8x C    20.2232  -10.8456
            83  N4x N    19.0335  -11.6853
            84  C8x C    18.7536  -14.2747
            85  C8x C    19.4534  -15.5344
            86  C8x C    20.9230  -15.5344
            87  C8x C    21.6229  -14.2747
            88  C1b C    26.1718   -6.7166
            89  C1c C    27.3615   -5.9467
            90  C1a C    28.6912   -6.6466
            91  C1a C    27.3615   -4.5471
            92  C5a C    34.7097   -8.1862
            93  N1b N    35.8994   -8.8860
            94  O5a O    34.7097   -6.7166
            95  C1b C    37.1591   -8.1862
            96  C5a C    38.3488   -8.8860
            97  N1a N    39.5385   -8.1862
            98  O5a O    38.3488  -10.2857
            99  O1a O    14.1347  -11.1255
BOND        105
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     6   7 1
            5     7   8 1
            6     8   9 1
            7     9  10 1
            8    10  11 2
            9    10  12 1
            10   12  13 1
            11   13  14 1
            12   14  15 1
            13   15  17 1
            14   17  18 1
            15   18  19 2
            16    8  20 1 #Up
            17   20  21 1
            18    7  22 2
            19   23  24 1
            20    6  23 1
            21   24  25 1
            22   24  26 2
            23   25  27 1
            24   27  28 1
            25   27  29 1 #Down
            26   29  30 1
            27   30  31 1
            28   31  32 1
            29   32  33 1
            30   33  34 2
            31   33  35 1
            32   28  36 2
            33   28  37 1
            34   37  38 1
            35   37  39 1
            36   39  40 1
            37   40  41 1
            38   38  41 1
            39   12  42 1 #Up
            40   42  43 1
            41   43  44 2
            42   44  45 1
            43   45  46 2
            44   46  47 1
            45   47  48 2
            46   43  48 1
            47   46  49 1
            48   14  50 2
            49   15  16 1 #Down
            50   18  51 1
            51   51  52 1
            52   52  53 1
            53   53  54 1
            54   54  56 1
            55   56  57 1
            56   57  58 2
            57   53  59 2
            58   54  55 1 #Down
            59   55  60 1
            60   60  61 1
            61   61  62 1
            62   62  63 2
            63   63  64 1
            64   60  64 2
            65    5  57 1 #Down
            66    5  65 1
            67   65  66 1
            68   66  67 1
            69   67  68 1
            70    5  68 1
            71   67  69 2
            72   51  70 1 #Up
            73   70  71 1
            74   71  72 2
            75   72  73 1
            76   73  74 1
            77   74  75 1
            78   71  75 1
            79   74  76 2
            80   76  77 1
            81   77  78 2
            82   78  79 1
            83   75  79 2
            84   80  81 1
            85   81  21 1
            86   82  83 1
            87   80  83 1
            88   80  84 2
            89   84  85 1
            90   85  86 2
            91   86  87 1
            92   81  87 2
            93   21  82 2
            94   23  88 1 #Up
            95   88  89 1
            96   89  90 1
            97   89  91 1
            98   92  93 1
            99   38  92 1 #Down
            100  92  94 2
            101  93  95 1
            102  95  96 1
            103  96  97 1
            104  96  98 2
            105  16  99 1

» Japanese version   » Back

DBGET integrated database retrieval system