KEGG   DRUG: Afamelanotide acetate
Entry
D11334                      Drug                                   
Name
Afamelanotide acetate (USAN);
Scenesse (TN)
Product
SCENESSE (CLINUVEL)
Formula
C78H111N21O19. (C2H4O2)n
Structure
Simcomp
Remark
ATC code: D02BB02
Chemical structure group: DG02991
Product (DG02991): D11334<US>
Efficacy
Pigmentation inducer, Melanocortin receptor agonist
  Disease
Erythropoietic protoporphyria [DS:H00201]
Comment
Prevention of phototoxicity in adults with Erythropoietic protoporphyria (EPP)
Target
MC1R [HSA:4157] [KO:K04199]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04916  Melanogenesis
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D02 EMOLLIENTS AND PROTECTIVES
   D02B PROTECTIVES AGAINST UV-RADIATION
    D02BB Protectives against UV-radiation for systemic use
     D02BB02 Afamelanotide
      D11334  Afamelanotide acetate (USAN) <US>
USP drug classification [BR:br08302]
 Genetic, Enzyme, or Protein Disorder: Replacement, Modifiers, Treatment
  Afamelanotide
   D11334  Afamelanotide acetate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melanocortin
    MC1R
     D11334  Afamelanotide acetate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11334
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11334
Other DBs
CAS: 1566590-77-9
PubChem: 384585312
LinkDB
KCF data

ATOM        122
            1   C8x C     1.8855  -11.1734
            2   C8x C     1.8855  -12.5701
            3   C8x C     3.0726  -13.2684
            4   C8y C     4.3296  -12.5701
            5   C8y C     4.3296  -11.1734
            6   C8x C     3.0726  -10.4751
            7   C8y C     5.6565  -12.9891
            8   C8x C     6.4246  -11.8717
            9   N4x N     5.6565  -10.7544
            10  C1b C     6.8436  -13.6874
            11  C1c C     8.0308  -12.9891
            12  N1b N     9.1481  -13.6874
            13  C5a C     8.0308  -11.5924
            14  N1b N     9.2179  -10.8941
            15  O5a O     6.7738  -10.8941
            16  C1b C    10.4051  -11.5924
            17  C5a C    11.5922  -10.8941
            18  N1b N    12.7096  -11.5924
            19  O5a O    11.5922   -9.4974
            20  C1c C    13.8967  -10.8941
            21  C5a C    15.0839  -11.5924
            22  N1y N    16.2710  -10.8941
            23  O5a O    15.0839  -12.9891
            24  C1y C    17.3883  -11.7321
            25  C1x C    18.4358  -10.8941
            26  C1x C    18.0168   -9.6372
            27  C1x C    16.6900   -9.6371
            28  C5a C    17.3883  -13.0589
            29  N1b N    18.9247  -13.7572
            30  O5a O    16.2012  -13.7572
            31  C1c C    20.2515  -13.0589
            32  C5a C    21.5085  -13.6874
            33  N1a N    22.6956  -12.9891
            34  O5a O    21.5085  -15.0840
            35  C1c C    20.2515  -11.6622
            36  C1a C    19.0643  -11.0337
            37  C1a C    21.4386  -10.9639
            38  C1b C    13.8967   -9.4974
            39  C1b C    15.0839   -8.8689
            40  C1b C    15.0839   -7.4723
            41  C1b C    16.2710   -6.7739
            42  N1a N    17.4582   -7.4723
            43  C5a C     9.1481  -16.0617
            44  O5a O     7.9609  -16.7600
            45  C1c C    10.4051  -16.7600
            46  N1b N    11.5922  -16.0617
            47  C5a C    12.7096  -16.7600
            48  C1c C    13.8967  -16.0617
            49  O5a O    12.7096  -18.0868
            50  N1b N    15.0839  -16.6902
            51  C1b C    13.8967  -14.5254
            52  C8y C    12.7096  -13.8270
            53  C8x C    12.7096  -12.4304
            54  C8x C    11.4526  -11.7321
            55  C8x C    10.2654  -12.4304
            56  C8x C    10.2654  -13.8270
            57  C8x C    11.5224  -14.5254
            58  C5a C    16.2710  -16.0617
            59  C1c C    17.4582  -16.6902
            60  O5a O    16.2710  -14.6650
            61  C1b C    18.6453  -16.0617
            62  C8y C    19.8325  -16.6902
            63  C8x C    20.1817  -18.0170
            64  N5x N    21.5783  -18.0168
            65  C8x C    22.0671  -16.7600
            66  N4x N    20.9498  -15.9220
            67  C1b C    10.4051  -18.0868
            68  C1b C     9.1481  -18.7852
            69  C1b C     7.9609  -18.1567
            70  N1b N     6.7738  -18.7852
            71  C2c C     5.6565  -18.1567
            72  N1a N     4.4693  -18.7852
            73  N2a N     5.6565  -16.7600
            74  N1b N    17.4582  -18.6455
            75  C5a C    18.6453  -19.3438
            76  O5a O    19.7627  -18.6455
            77  C1c C    18.6453  -20.7405
            78  N1b N    19.8325  -21.4388
            79  C1b C    17.3883  -21.4388
            80  C1b C    16.2012  -20.7405
            81  C6a C    15.0140  -21.4388
            82  O6a O    13.8269  -20.7405
            83  O6a O    15.0140  -22.8355
            84  C5a C    21.0196  -20.7405
            85  C1c C    22.2068  -21.3690
            86  O5a O    21.0196  -19.2740
            87  N1b N    23.3940  -20.7405
            88  C5a C    24.5811  -21.3690
            89  C1c C    25.7683  -20.7405
            90  C1b C    22.2068  -22.8355
            91  C1b C    20.9498  -23.5338
            92  C1b C    19.7627  -22.8355
            93  C1a C    18.5755  -23.5338
            94  O5a O    24.5811  -22.8355
            95  N1b N    26.9554  -21.3690
            96  C1b C    25.7683  -19.2740
            97  O1a O    26.9554  -18.6455
            98  C5a C    28.1426  -20.7405
            99  C1c C    29.3297  -21.3690
            100 O5a O    28.1426  -19.2740
            101 C1b C    30.5169  -20.7405
            102 C8y C    31.7041  -21.3690
            103 C8x C    31.7041  -22.8355
            104 C8x C    32.9610  -23.5338
            105 C8y C    34.1482  -22.8355
            106 C8x C    34.1482  -21.3690
            107 C8x C    32.9610  -20.6707
            108 O1a O    35.3354  -23.5338
            109 N1b N    29.3297  -22.8355
            110 C5a C    28.1426  -23.5338
            111 O5a O    26.8856  -22.8355
            112 C1c C    28.1426  -24.9304
            113 N1b N    29.3297  -25.6288
            114 C1b C    26.8856  -25.6288
            115 O1a O    25.6984  -24.9304
            116 C5a C    30.5169  -24.9304
            117 C1a C    31.7041  -25.6288
            118 O5a O    30.5169  -23.5338
            119 C6a C    31.5700  -10.1500
            120 C1a C    32.7824  -10.8500
            121 O6a O    30.3576  -10.8500
            122 O6a O    31.5700   -8.7500
BOND        126
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    7  10 1
            12   10  11 1
            13   11  12 1
            14   11  13 1 #Up
            15   13  14 1
            16   13  15 2
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2
            25   22  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   22  27 1
            30   24  28 1 #Up
            31   28  29 1
            32   28  30 2
            33   29  31 1
            34   31  32 1 #Up
            35   32  33 1
            36   32  34 2
            37   31  35 1
            38   35  36 1
            39   35  37 1
            40   20  38 1 #Up
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   12  43 1
            46   43  44 2
            47   43  45 1
            48   45  46 1
            49   46  47 1
            50   47  48 1
            51   47  49 2
            52   48  50 1
            53   48  51 1 #Up
            54   51  52 1
            55   52  53 2
            56   53  54 1
            57   54  55 2
            58   55  56 1
            59   56  57 2
            60   52  57 1
            61   50  58 1
            62   58  59 1
            63   58  60 2
            64   59  61 1
            65   61  62 1
            66   62  63 2
            67   63  64 1
            68   64  65 2
            69   65  66 1
            70   62  66 1
            71   45  67 1 #Up
            72   67  68 1
            73   68  69 1
            74   69  70 1
            75   70  71 1
            76   71  72 1
            77   71  73 2
            78   59  74 1 #Down
            79   74  75 1
            80   75  76 2
            81   77  75 1 #Up
            82   77  78 1
            83   77  79 1
            84   79  80 1
            85   80  81 1
            86   81  82 1
            87   81  83 2
            88   78  84 1
            89   84  85 1
            90   84  86 2
            91   85  87 1
            92   87  88 1
            93   88  89 1
            94   85  90 1 #Up
            95   90  91 1
            96   91  92 1
            97   92  93 1
            98   88  94 2
            99   89  95 1
            100  89  96 1 #Down
            101  96  97 1
            102  95  98 1
            103  98  99 1
            104  98 100 2
            105  99 101 1
            106 101 102 1
            107 102 103 2
            108 103 104 1
            109 104 105 2
            110 105 106 1
            111 106 107 2
            112 102 107 1
            113 105 108 1
            114  99 109 1 #Down
            115 109 110 1
            116 110 111 2
            117 112 110 1 #Up
            118 112 113 1
            119 112 114 1
            120 114 115 1
            121 113 116 1
            122 116 117 1
            123 116 118 2
            124 119 120 1
            125 119 121 1
            126 119 122 2
BRACKET     1    29.0500  -11.8300   29.0500   -7.5600
            1    35.0000   -7.5600   35.0000  -11.8300
            1  n
 ORIGINAL  1  119 120 121 122
 REPEAT    1

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