KEGG   DRUG: AfamelanotideHelp
Entry
D10511                      Drug                                   

Name
Afamelanotide (INN);
Scenesse (TN)
Formula
C78H111N21O19
Exact mass
1645.8365
Mol weight
1646.8452
Structure
Mol fileKCF fileDB search
Remark
ATC code: D02BB02
Efficacy
Pigmentation inducer
Comment
alpha-melanocyte stimulating hormone [CPD:C02758] analog
Treatment of erythropoietic protoporphyria
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
      D10511  Afamelanotide (INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10511
BRITE hierarchy
Other DBs
CAS: 75921-69-6
PubChem: 172232604
ChEMBL: CHEMBL3629347 CHEMBL441738
LinkDB All DBs
KCF data Show

ATOM        118
            1   C8x C     7.5860  -11.2893
            2   C8x C     7.5860  -12.6773
            3   C8x C     8.7658  -13.3712
            4   C8y C    10.0149  -12.6773
            5   C8y C    10.0149  -11.2893
            6   C8x C     8.7658  -10.5953
            7   C8y C    11.3334  -13.0936
            8   C8x C    12.0968  -11.9832
            9   N4x N    11.3334  -10.8730
            10  C1b C    12.5132  -13.7875
            11  C1c C    13.6929  -13.0936
            12  N1b N    14.8727  -13.7875
            13  C5a C    13.6929  -11.7057
            14  N1b N    14.8948  -11.0117
            15  O5a O    12.4910  -11.0117
            16  C1b C    16.0800  -11.6962
            17  C5a C    17.2572  -11.0166
            18  N1b N    18.4380  -11.6987
            19  O5a O    17.2574   -9.6240
            20  C1c C    19.6173  -11.0179
            21  C5a C    20.7971  -11.6993
            22  N1y N    21.9770  -11.0182
            23  O5a O    20.7971  -13.0934
            24  C1y C    23.0925  -11.8013
            25  C1x C    24.1779  -10.9792
            26  C1x C    23.7315   -9.6929
            27  C1x C    22.3702   -9.7199
            28  C5a C    23.1164  -13.1619
            29  N1b N    24.6194  -13.8409
            30  O5a O    21.9369  -13.8710
            31  C1c C    25.9871  -13.1440
            32  C5a C    27.2005  -13.8164
            33  N1a N    28.4210  -13.0831
            34  O5a O    27.2248  -15.1755
            35  C1c C    25.9628  -11.7752
            36  C1a C    24.7587  -11.1081
            37  C1a C    27.1620  -11.0541
            38  C1b C    19.6175   -9.6240
            39  C1b C    20.8001   -8.9414
            40  C1b C    20.8001   -7.5535
            41  C1b C    21.9851   -6.8689
            42  N1a N    23.1527   -7.5426
            43  C5a C    14.8727  -16.1470
            44  O5a O    13.6706  -16.8410
            45  C1c C    16.0746  -16.8410
            46  N1b N    17.2598  -16.1565
            47  C5a C    18.4368  -16.8361
            48  C1c C    19.6178  -16.1541
            49  O5a O    18.4370  -18.2287
            50  N1b N    20.7970  -16.8349
            51  C1b C    19.6178  -14.6207
            52  C8y C    18.3932  -13.9202
            53  C8x C    18.3876  -12.5386
            54  C8x C    17.1827  -11.8496
            55  C8x C    15.9835  -12.5484
            56  C8x C    15.9892  -13.9301
            57  C8x C    17.1940  -14.6191
            58  C5a C    21.9769  -16.1535
            59  C1c C    23.1567  -16.8346
            60  O5a O    21.9769  -14.7593
            61  C1b C    24.3363  -16.1533
            62  C8y C    25.5161  -16.8345
            63  C8x C    25.9245  -18.1592
            64  N5x N    27.3159  -18.1800
            65  C8x C    27.7657  -16.8632
            66  N4x N    26.6523  -16.0286
            67  C1b C    16.0747  -18.2287
            68  C1b C    14.8559  -18.9325
            69  C1b C    13.6623  -18.2433
            70  N1b N    12.4896  -18.9206
            71  C2c C    11.3064  -18.2374
            72  N1a N    10.1284  -18.9175
            73  N2a N    11.3062  -16.8413
            74  N1b N    23.1569  -18.7839
            75  C5a C    24.3393  -19.4665
            76  O5a O    25.5145  -18.7877
            77  C1c C    24.3396  -20.8656
            78  N1b N    25.5198  -21.5470
            79  C1b C    23.1159  -21.5726
            80  C1b C    21.9195  -20.8823
            81  C6a C    20.7483  -21.5588
            82  O6a O    19.5639  -20.8752
            83  O6a O    20.7486  -22.9476
            84  C5a C    26.7446  -20.8401
            85  C1c C    27.9294  -21.5243
            86  O5a O    26.7450  -19.4234
            87  N1b N    29.1250  -20.8341
            88  C5a C    30.3150  -21.5213
            89  C1c C    31.5079  -20.8325
            90  C1b C    27.9293  -22.9285
            91  C1b C    26.6972  -23.6399
            92  C1b C    25.4909  -22.9435
            93  C1a C    24.3062  -23.6276
            94  O5a O    30.3150  -22.9285
            95  N1b N    32.6992  -21.5205
            96  C1b C    31.5081  -19.4234
            97  O1a O    32.7025  -18.7338
            98  C5a C    33.8915  -20.8321
            99  C1c C    35.0831  -21.5202
            100 O5a O    33.8917  -19.4234
            101 C1b C    36.2752  -20.8320
            102 C8y C    37.4670  -21.5202
            103 C8x C    37.4669  -22.9285
            104 C8x C    38.6813  -23.6296
            105 C8y C    39.8957  -22.9285
            106 C8x C    39.8957  -21.5202
            107 C8x C    38.6813  -20.8190
            108 O1a O    41.1094  -23.6293
            109 N1b N    35.0832  -22.9285
            110 C5a C    33.8492  -23.6411
            111 O5a O    32.6420  -22.9441
            112 C1c C    33.8494  -25.0320
            113 N1b N    35.0757  -25.7398
            114 C1b C    32.6470  -25.7266
            115 O1a O    31.4551  -25.0386
            116 C5a C    36.2787  -25.0449
            117 C1a C    37.4653  -25.7297
            118 O5a O    36.2787  -23.6301
BOND        123
            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

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