KEGG   DRUG: D06569Help
Entry
D06569                      Drug                                   

Name
Bremelanotide (USAN/INN);
PT-141
Formula
C50H68N14O10
Exact mass
1024.5243
Mol weight
1025.1627
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of sexual dysfunction [melanocortin receptor agonist]
Target
melanocortin 1 receptor agonist [HSA:4157] [KO:K04199];
melanocortin 2 receptor agonist [HSA:4158] [KO:K04200];
melanocortin 3 receptor agonist [HSA:4159] [KO:K04201];
melanocortin 4 receptor agonist [HSA:4160] [KO:K04202];
melanocortin 5 receptor agonist [HSA:4161] [KO:K04203]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melanocortin
    melanocortin 1 receptor
     Bremelanotide
      D06569  Bremelanotide (USAN/INN)
    melanocortin 2 receptor
     Bremelanotide
      D06569  Bremelanotide (USAN/INN)
    melanocortin 3 receptor
     Bremelanotide
      D06569  Bremelanotide (USAN/INN)
    melanocortin 4 receptor
     Bremelanotide
      D06569  Bremelanotide (USAN/INN)
    melanocortin 5 receptor
     Bremelanotide
      D06569  Bremelanotide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
189691-06-3
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        74
            1   C1a C     7.4423  -13.4071
            2   C5a C     8.6585  -12.7049
            3   N1b N     9.8747  -13.4071
            4   C1c C    11.0909  -12.7049
            5   C5a C    12.3071  -13.4071
            6   N1b N    13.5234  -12.7049
            7   C1c C    14.7396  -13.4071
            8   C1b C    15.9557  -12.7049
            9   O6a O    18.3882  -12.7049
            10  C6a C    19.6045  -13.4071
            11  C1c C    20.8207  -12.7049
            12  N1b N    22.0368  -13.4071
            13  O5a O     8.6585  -11.3008
            14  C1b C    11.0909  -11.3006
            15  O5a O    12.3071  -14.8114
            16  C5a C    14.7396  -14.8115
            17  N1b N    15.9599  -15.5160
            18  O5a O    13.5274  -15.5114
            19  C1c C    15.9599  -16.9178
            20  C5a C    15.9557  -11.3007
            21  O5a O    14.7267  -10.5910
            22  N1b N    17.1592  -10.6058
            23  C1b C    19.9679  -10.6058
            24  C1b C    19.2657   -9.3896
            25  C1b C    17.8614   -9.3896
            26  C1b C    20.8207  -11.3010
            27  O6a O    19.6045  -14.8114
            28  C5a C    22.0368  -14.8115
            29  C1b C    12.3092  -10.5972
            30  C1b C    12.3092   -9.1942
            31  C1a C    13.5090   -8.5014
            32  C1c C    23.2612  -15.5184
            33  O5a O    20.8288  -15.5090
            34  C1b C    24.4645  -14.8235
            35  N1b N    23.2612  -16.9179
            36  C5a C    22.0301  -17.6287
            37  O5a O    20.8235  -16.9321
            38  C1c C    22.0302  -19.0245
            39  C8y C    25.6535  -15.5100
            40  C8x C    25.6535  -16.9143
            41  N4x N    26.9890  -17.3483
            42  C8y C    27.8145  -16.2121
            43  C8y C    26.9890  -15.0760
            44  C8x C    29.2189  -16.2121
            45  C8x C    29.9172  -15.0026
            46  C8x C    29.2221  -13.7989
            47  C8x C    27.8058  -13.7988
            48  C1b C    23.2596  -19.7342
            49  N1b N    20.8272  -19.7192
            50  C5a C    19.6343  -19.0306
            51  C1c C    18.4403  -19.7202
            52  O5a O    19.6341  -17.6204
            53  C1b C    24.4652  -19.0379
            54  C1b C    25.6531  -19.7237
            55  N1b N    26.8495  -19.0326
            56  C2c C    28.0420  -19.7209
            57  N1a N    29.2361  -19.0312
            58  N2a N    28.0423  -21.1309
            59  N1b N    17.2466  -19.0311
            60  C1b C    18.4403  -21.1309
            61  C8y C    19.6761  -21.8447
            62  C8x C    19.6758  -23.2376
            63  C8x C    20.8919  -23.9401
            64  C8x C    22.1083  -23.2382
            65  C8x C    22.1086  -21.8453
            66  C8x C    20.8925  -21.1428
            67  C5a C    17.2464  -17.6204
            68  O5a O    18.4737  -16.8920
            69  C1b C    14.7364  -17.6439
            70  C8y C    14.7532  -19.0246
            71  C8x C    13.6218  -19.8677
            72  N5x N    14.0741  -21.2042
            73  C8x C    15.4849  -21.1871
            74  N4x N    15.9046  -19.8400
BOND        78
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     7   6 1 #Up
            7     7   8 1
            8     9  10 1
            9    11  10 1 #Down
            10   11  12 1
            11    2  13 2
            12    4  14 1 #Up
            13    5  15 2
            14    7  16 1
            15   16  17 1
            16   16  18 2
            17   17  19 1
            18    8  20 1
            19   20  21 2
            20   20  22 1
            21   23  24 1
            22   24  25 1
            23   22  25 1
            24   11  26 1
            25   26  23 1
            26   10  27 2
            27   12  28 1
            28   14  29 1
            29   29  30 1
            30   30  31 1
            31   28  32 1
            32   28  33 2
            33   32  34 1 #Down
            34   32  35 1
            35   35  36 1
            36   36  37 2
            37   36  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   39  43 1
            44   42  44 2
            45   44  45 1
            46   45  46 2
            47   46  47 1
            48   47  43 2
            49   38  48 1 #Down
            50   38  49 1
            51   49  50 1
            52   50  51 1
            53   50  52 2
            54   48  53 1
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   56  57 1
            59   56  58 2
            60   51  59 1
            61   51  60 1 #Up
            62   60  61 1
            63   61  62 2
            64   62  63 1
            65   63  64 2
            66   64  65 1
            67   65  66 2
            68   61  66 1
            69   59  67 1
            70   67  19 1
            71   67  68 2
            72   19  69 1 #Down
            73   69  70 1
            74   70  71 2
            75   71  72 1
            76   72  73 2
            77   73  74 1
            78   70  74 1

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