KEGG   DRUG: Setmelanotide acetate
Entry
D11928                      Drug                                   

Name
Setmelanotide acetate;
Imcivree (TN)
Product
Formula
C49H68N18O9S2. (C2H4O2)x
Structure
Remark
Chemical structure group: DG03132
Product (DG03132): D11928<US>
Efficacy
Antiobesity, Melanocortin 4 receptor agonist
  Disease
Gentic obesity [DS:H02106]
Leptin receptor deficiency [DS:H02060]
Proprotein convertase subtilisin/kexin type 1 deficiency [DS:H02105]
Comment
Indicated for chronic weight management
Target
MC4R [HSA:4160] [KO:K04202]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melanocortin
    MC4R
     D11928  Setmelanotide acetate <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11928
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11928
Pharmacogenomic biomarkers [br08341.html]
 Germline mutations in genetic disorder treatments
  D11928
LinkDB
KCF data

ATOM        82
            1   C1a C    11.7838  -14.0985
            2   C1c C    13.0463  -14.8700
            3   N1b N    14.1686  -14.0985
            4   N1a N    16.5534  -14.0985
            5   C5a C    17.7458  -14.8700
            6   C1c C    18.9382  -14.0985
            7   N1b N    20.2007  -14.8700
            8   C5a C    13.0463  -16.2728
            9   N1b N    14.1686  -16.9742
            10  O5a O    11.7838  -16.9742
            11  C1c C    14.1686  -18.3770
            12  C5a C    14.1686  -12.6956
            13  O5a O    12.9762  -12.0644
            14  C1b C    18.9382  -12.6956
            15  O5a O    17.7458  -16.2728
            16  C5a C    20.2007  -16.2728
            17  C1c C    21.3931  -16.9742
            18  O5a O    19.0083  -16.9742
            19  C1b C    22.5154  -16.2728
            20  N1b N    21.3931  -18.3770
            21  C5a C    20.2007  -19.0785
            22  O5a O    18.9382  -18.3770
            23  C1c C    20.2007  -20.4111
            24  C8y C    23.6376  -16.9742
            25  C8x C    23.6376  -18.3770
            26  N4x N    24.9703  -18.7277
            27  C8y C    25.7418  -17.6756
            28  C8y C    24.9703  -16.4832
            29  C8x C    27.1446  -17.6756
            30  C8x C    27.8461  -16.4131
            31  C8x C    27.1446  -15.2207
            32  C8x C    25.7418  -15.2207
            33  C1b C    21.3931  -21.1125
            34  N1b N    19.0083  -21.1125
            35  C5a C    17.7458  -20.4111
            36  C1c C    16.5534  -21.1125
            37  O5a O    17.7458  -19.0785
            38  C1b C    22.5855  -20.4111
            39  C1b C    23.6376  -21.1125
            40  N1b N    24.8300  -20.4111
            41  C2c C    26.0224  -21.1125
            42  N1a N    27.2148  -20.4111
            43  N2a N    26.0224  -22.4452
            44  N1b N    15.3610  -20.4111
            45  C1b C    16.5534  -22.4452
            46  C8y C    17.8159  -23.1466
            47  C8x C    17.8159  -24.5494
            48  C8x C    19.0083  -25.2508
            49  C8x C    20.2708  -24.5494
            50  C8x C    20.2708  -23.1466
            51  C8x C    19.0083  -22.4452
            52  C5a C    15.3610  -19.0785
            53  O5a O    16.6235  -18.3069
            54  C1b C    13.0463  -19.0785
            55  C8y C    13.0463  -20.4111
            56  C8x C    11.9241  -21.2528
            57  N5x N    12.3449  -22.5154
            58  C8x C    13.7477  -22.5154
            59  N4x N    14.1686  -21.1827
            60  C1c C    15.3610  -11.9241
            61  S3a S    17.7458  -11.9241
            62  S3a S    17.7458  -10.5914
            63  C1b C    15.3610  -10.5914
            64  N1b N    14.1686  -11.2928
            65  C5a C    14.1686   -9.8900
            66  C1c C    12.9762   -9.1886
            67  O5a O    15.3610   -9.1886
            68  N1b N    11.7838   -9.9601
            69  C1b C    12.9762   -7.7858
            70  C5a C    10.5914   -9.2587
            71  C1a C     9.3990   -9.9601
            72  O5a O    10.5914   -7.8559
            73  C1b C    14.1686   -7.0844
            74  C1b C    15.2908   -7.7858
            75  N1b N    16.4832   -7.0844
            76  C2c C    17.6756   -7.7858
            77  N1a N    18.8680   -7.0844
            78  N2a N    17.6756   -9.1886
            79  C6a C    26.0400  -11.0600
            80  C1a C    27.2524  -11.7600
            81  O6a O    24.8276  -11.7600
            82  O6a O    26.0400   -9.6600
BOND        85
            1     2   1 1 #Up
            2     2   3 1
            3     4   5 1
            4     6   5 1 #Down
            5     6   7 1
            6     2   8 1
            7     8   9 1
            8     8  10 2
            9     9  11 1
            10    3  12 1
            11   12  13 2
            12    6  14 1
            13    5  15 2
            14    7  16 1
            15   16  17 1
            16   16  18 2
            17   17  19 1 #Down
            18   17  20 1
            19   20  21 1
            20   21  22 2
            21   21  23 1
            22   19  24 1
            23   24  25 2
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   24  28 1
            28   27  29 2
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32   32  28 2
            33   23  33 1 #Down
            34   23  34 1
            35   34  35 1
            36   35  36 1
            37   35  37 2
            38   33  38 1
            39   38  39 1
            40   39  40 1
            41   40  41 1
            42   41  42 1
            43   41  43 2
            44   36  44 1
            45   36  45 1 #Up
            46   45  46 1
            47   46  47 2
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   50  51 2
            52   46  51 1
            53   44  52 1
            54   52  11 1
            55   52  53 2
            56   11  54 1 #Down
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 2
            61   58  59 1
            62   55  59 1
            63   12  60 1
            64   61  14 1
            65   61  62 1
            66   60  63 1
            67   62  63 1
            68   60  64 1 #Up
            69   64  65 1
            70   65  66 1
            71   65  67 2
            72   66  68 1 #Up
            73   66  69 1
            74   68  70 1
            75   70  71 1
            76   70  72 2
            77   69  73 1
            78   73  74 1
            79   74  75 1
            80   75  76 1
            81   76  77 1
            82   76  78 2
            83   79  80 1
            84   79  81 1
            85   79  82 2
BRACKET     1    22.9600  -12.7400   22.9600   -8.4000
            1    29.2600   -8.4000   29.2600  -12.7400
            1  x
 ORIGINAL  1   79  80  81  82
 REPEAT    1

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