KEGG   DRUG: RelamorelinHelp
Entry
D10660                      Drug                                   

Name
Relamorelin (USAN/INN)
Formula
C43H50N8O5S
Exact mass
790.3625
Mol weight
790.9727
Structure
Mol fileKCF fileDB search
Efficacy
Laxative, Growth hormone secretagogue receptor (GHSR) agonist
Target
GHSR [HSA:2693] [KO:K04284]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Ghrelin
    GHSR
     D10660  Relamorelin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 661472-41-9
PubChem: 254741621
LinkDB All DBs
KCF data Show

ATOM        57
            1   O5a O    19.5295  -13.5095
            2   C1c C    22.3294  -15.7494
            3   C5a C    21.6294  -14.5595
            4   C1b C    23.7293  -15.7494
            5   C8y C    24.4293  -14.5595
            6   N1b N    22.3294  -13.2995
            7   C8x C    23.7293  -13.2995
            8   C8x C    25.8292  -14.5595
            9   C8x C    26.5292  -13.2995
            10  C8x C    25.8292  -12.1096
            11  C8x C    24.4293  -12.1096
            12  C1z C    21.2794  -11.9696
            13  C1x C    22.5393  -11.3396
            14  C1x C    22.6793  -10.0097
            15  N1x N    21.4894   -9.1697
            16  C1x C    20.2294   -9.7997
            17  C1x C    20.1594  -11.1996
            18  C5a C    20.0894  -12.6696
            19  N1a N    19.1095  -11.6896
            20  O5a O    20.2294  -14.5595
            21  N1b N    18.1995  -18.3393
            22  C5a C    17.4996  -17.0794
            23  C1c C    16.0996  -17.0794
            24  C1b C    15.3996  -15.8894
            25  C8y C    13.9997  -15.8894
            26  C8y C    13.1597  -14.7695
            27  C8y C    11.8298  -15.1895
            28  S2x S    11.8298  -16.5894
            29  C8x C    13.1597  -17.0094
            30  C8x C    13.4397  -13.3695
            31  C8x C    12.3898  -12.4596
            32  C8x C    11.1298  -12.8796
            33  C8x C    10.7798  -14.2795
            34  O5a O    18.1995  -15.8894
            35  C1c C    19.5995  -18.3393
            36  C5a C    20.2994  -17.0794
            37  O5a O    19.5995  -15.8894
            38  N1b N    21.6994  -17.0794
            39  C1b C    20.2994  -19.5293
            40  C8y C    21.6994  -19.5293
            41  C8x C    22.3994  -18.3393
            42  C8y C    22.6093  -20.5792
            43  C8y C    23.9393  -20.0193
            44  N4x N    23.7993  -18.6193
            45  C8x C    22.4693  -21.9792
            46  C8x C    23.5893  -22.7491
            47  C8x C    24.9192  -22.1892
            48  C8x C    25.0592  -20.7892
            49  C1x C    13.9997  -23.1691
            50  N1x N    15.3996  -23.1691
            51  C1x C    16.0996  -21.9792
            52  C1y C    15.3996  -20.7192
            53  C1x C    13.9997  -20.7192
            54  C1x C    13.2997  -21.9792
            55  C5a C    16.0996  -19.5293
            56  N1b N    15.3996  -18.3393
            57  O5a O    17.4996  -19.5293
BOND        63
            1     2   3 1
            2     2   4 1
            3     4   5 1
            4     3   6 1
            5     5   7 1
            6     5   8 2
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10    7  11 2
            11    6  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   12  17 1
            18   12  18 1
            19   18  19 1
            20   18   1 2
            21    3  20 2
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   25  29 2
            31   26  30 2
            32   30  31 1
            33   31  32 2
            34   32  33 1
            35   27  33 2
            36   22  34 2
            37   21  35 1
            38   35  36 1 #Up
            39   36  37 2
            40   36  38 1
            41   35  39 1
            42   39  40 1
            43   40  41 2
            44   40  42 1
            45   42  43 1
            46   43  44 1
            47   41  44 1
            48   42  45 2
            49   45  46 1
            50   46  47 2
            51   47  48 1
            52   43  48 2
            53    2  38 1 #Down
            54   49  50 1
            55   50  51 1
            56   51  52 1
            57   52  53 1
            58   53  54 1
            59   49  54 1
            60   52  55 1
            61   55  56 1
            62   55  57 2
            63   23  56 1 #Down

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