KEGG   DRUG: Giractide acetate
Entry
D09801                      Drug                                   
Name
Giractide acetate (JAN)
Formula
C100H156N34O22S. (C2H4O2)6
Exact mass
2577.3122
Mol weight
2578.9
Structure
Simcomp
Class
Hormonal agent
 DG01629  Adrenocorticotropic hormone (ACTH)
Remark
Chemical structure group: DG01344
Efficacy
Melanocortin 2 receptor agonist
Comment
See Giractide [DR:D09937]
synthetic adrenocorticotropic hormone (ACTH)
Target
MC2R [HSA:4158] [KO:K04200]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04925  Aldosterone synthesis and secretion
hsa04927  Cortisol synthesis and secretion
Interaction
Brite
Drug groups [BR:br08330]
 Hormonal agent
  DG01629  Adrenocorticotropic hormone (ACTH)
   DG01344  Giractide
    D09801  Giractide acetate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melanocortin
    MC2R
     D09801  Giractide acetate (JAN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01629  Adrenocorticotropic hormone (ACTH)
   DG01344  Giractide
Other DBs
PubChem: 124490541
LinkDB
KCF data

ATOM        181
            1   C8y C    28.8723  -33.7403
            2   C1b C    30.0696  -34.4447
            3   C1c C    31.2670  -33.7403
            4   N1b N    32.4645  -34.4447
            5   C5a C    31.2670  -31.2046
            6   O5a O    30.0696  -30.5001
            7   N1b N    32.4645  -30.5001
            8   C1b C    33.7324  -31.2046
            9   C5a C    34.9298  -30.4298
            10  N1b N    36.1272  -31.1341
            11  O5a O    34.9298  -29.0210
            12  C1c C    37.3246  -30.4298
            13  C5a C    38.5221  -31.1341
            14  C1b C    37.3246  -29.0210
            15  C1b C    38.5221  -28.3166
            16  N1y N    39.7195  -30.4298
            17  C5a C    32.4645  -35.8534
            18  O5a O    31.2670  -36.5578
            19  C1c C    33.6619  -36.5578
            20  C1b C    33.6619  -37.9666
            21  O5a O    38.5221  -32.5428
            22  C1x C    41.5508  -29.0914
            23  C1x C    40.1421  -29.0914
            24  C1y C    40.8465  -31.2750
            25  C1x C    41.9736  -30.4298
            26  C5a C    40.8465  -32.9655
            27  O5a O    39.6491  -33.6699
            28  N1b N    42.0439  -33.6699
            29  C1c C    43.2414  -32.9655
            30  C1c C    43.2414  -31.9793
            31  C1b C    38.5221  -26.9079
            32  C1b C    39.7195  -26.2035
            33  N1a N    39.7195  -24.7948
            34  N1b N    34.8594  -35.8534
            35  C5a C    36.0568  -36.5578
            36  C1c C    37.2543  -35.8534
            37  N1b N    38.4516  -36.5578
            38  O5a O    36.0568  -37.9666
            39  C1b C    37.2543  -34.4447
            40  C8y C    35.9863  -33.8107
            41  C8x C    33.5211  -32.4019
            42  C8x C    33.5211  -33.8107
            43  C8x C    34.7185  -34.5151
            44  C8x C    35.9863  -32.4019
            45  C8x C    34.7185  -31.6976
            46  C5a C    39.6491  -35.8534
            47  C1c C    40.8465  -36.5578
            48  O5a O    39.6491  -34.5856
            49  C1b C    42.0439  -35.8534
            50  C8y C    43.2414  -36.5578
            51  N1b N    40.8465  -38.4596
            52  C8x C    43.6640  -37.8961
            53  N5x N    45.0728  -37.8961
            54  C8x C    45.4954  -36.6303
            55  N4x N    44.3683  -35.7125
            56  C1b C    32.4645  -38.6709
            57  C1b C    31.2670  -37.9666
            58  N1b N    30.0696  -38.6709
            59  C2c C    28.8723  -37.9666
            60  N1a N    27.6748  -38.6709
            61  N2a N    28.8723  -36.5578
            62  C5a C    42.0439  -39.1639
            63  C1c C    42.0439  -40.5727
            64  O5a O    43.2414  -38.4596
            65  N1b N    43.2414  -41.2771
            66  C5a C    44.4388  -40.5727
            67  C1c C    45.6363  -41.2771
            68  C1b C    40.8465  -41.2771
            69  C1b C    39.6491  -40.5727
            70  C6a C    38.4516  -41.2771
            71  O5a O    44.4388  -39.1639
            72  N1b N    46.8337  -40.5727
            73  C1b C    45.6363  -42.6859
            74  C5a C    48.0311  -41.2771
            75  C1c C    49.2285  -40.5727
            76  O5a O    48.0311  -42.4040
            77  O6a O    37.2543  -40.5727
            78  O6a O    38.4516  -42.6859
            79  C1b C    44.4388  -43.3902
            80  S2a S    43.2414  -42.6859
            81  C1a C    42.0439  -43.3902
            82  N1b N    50.4260  -41.2771
            83  C1b C    49.2285  -39.1639
            84  O1a O    50.4260  -38.4596
            85  C5a C    51.6234  -40.5727
            86  C1c C    52.8208  -41.2771
            87  O5a O    51.6234  -39.1639
            88  C1b C    54.0183  -40.5727
            89  N1b N    52.8208  -42.6859
            90  C5a C    51.6234  -43.3902
            91  C1b C    50.4260  -42.6859
            92  N1a N    49.2285  -43.3902
            93  O5a O    51.6234  -44.7989
            94  C8y C    55.2861  -41.2771
            95  C8x C    55.2861  -42.6859
            96  C8x C    56.4836  -43.3902
            97  C8y C    57.6810  -42.6859
            98  C8x C    57.6810  -41.2771
            99  C8x C    56.4836  -40.5727
            100 O1a O    58.9488  -43.3902
            101 O5a O    44.4388  -34.7968
            102 C5a C    44.4388  -33.6699
            103 N1b N    45.6363  -33.0359
            104 C1b C    45.6363  -31.4863
            105 C5a C    46.8337  -30.8524
            106 N1b N    46.8337  -29.4436
            107 O5a O    48.1016  -31.5567
            108 C1c C    48.1016  -28.7392
            109 C1b C    48.1016  -27.4009
            110 C5a C    49.2990  -29.5141
            111 N1b N    50.4964  -28.8097
            112 O5a O    49.2990  -30.9228
            113 C1c C    51.6939  -29.5141
            114 C1b C    49.2990  -26.6966
            115 C1b C    52.8912  -28.8097
            116 C5a C    51.6939  -30.9932
            117 N1b N    50.4964  -31.6272
            118 O5a O    52.8912  -31.6976
            119 C1c C    50.4964  -33.0359
            120 C1b C    49.3693  -33.5291
            121 C5a C    51.6939  -33.7403
            122 O5a O    52.9617  -33.0359
            123 N1b N    51.6939  -35.1491
            124 C1c C    52.8912  -35.8534
            125 C5a C    54.1592  -35.1491
            126 N1a N    54.1592  -33.7403
            127 O5a O    55.3566  -35.8534
            128 C1b C    50.4964  -27.4009
            129 C1b C    51.6939  -26.7670
            130 C1b C    54.1592  -29.5845
            131 C1b C    55.4270  -28.8097
            132 C1b C    56.6244  -29.5845
            133 N1a N    57.8219  -28.8801
            134 C1b C    49.3693  -34.7970
            135 C1b C    52.8912  -37.2621
            136 C1b C    54.0887  -37.9666
            137 C1b C    55.2861  -37.2621
            138 N1b N    56.4836  -37.9666
            139 C2c C    57.6810  -37.2621
            140 N1a N    58.8785  -37.9666
            141 N2a N    57.6810  -35.8534
            142 C1a C    44.4388  -31.2750
            143 C1a C    42.0439  -31.2750
            144 C1b C    48.3126  -35.3606
            145 C8y C    27.5339  -31.9089
            146 C8y C    27.5339  -33.3176
            147 C8x C    29.7175  -32.6133
            148 N4x N    28.8723  -31.4863
            149 C8x C    26.3365  -31.2046
            150 C8x C    25.0686  -31.9089
            151 C8x C    25.0686  -33.3176
            152 C8x C    26.3365  -34.0220
            153 N1a N    52.8555  -27.4958
            154 N1b N    48.3126  -36.6275
            155 C2c C    47.2256  -37.1960
            156 N1a N    47.2256  -38.4630
            157 N2a N    46.1362  -36.6271
            158 C6a C    30.1000  -42.9800
            159 C1a C    31.3124  -43.6800
            160 O6a O    28.8876  -43.6800
            161 O6a O    30.1000  -41.5800
            162 C6a C    30.1000  -42.9800
            163 C1a C    31.3124  -43.6800
            164 O6a O    28.8876  -43.6800
            165 O6a O    30.1000  -41.5800
            166 C6a C    30.1000  -42.9800
            167 C1a C    31.3124  -43.6800
            168 O6a O    28.8876  -43.6800
            169 O6a O    30.1000  -41.5800
            170 C6a C    30.1000  -42.9800
            171 C1a C    31.3124  -43.6800
            172 O6a O    28.8876  -43.6800
            173 O6a O    30.1000  -41.5800
            174 C6a C    30.1000  -42.9800
            175 C1a C    31.3124  -43.6800
            176 O6a O    28.8876  -43.6800
            177 O6a O    30.1000  -41.5800
            178 C6a C    30.1000  -42.9800
            179 C1a C    31.3124  -43.6800
            180 O6a O    28.8876  -43.6800
            181 O6a O    30.1000  -41.5800
BOND        180
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1 #Up
            5     5   6 2
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 2
            11   10  12 1
            12   12  13 1
            13   12  14 1 #Up
            14   14  15 1
            15   13  16 1
            16    4  17 1
            17   17  18 2
            18   17  19 1
            19   19  20 1 #Up
            20   13  21 2
            21   22  23 1
            22   23  16 1
            23   16  24 1
            24   24  25 1
            25   22  25 1
            26   24  26 1
            27   26  27 2
            28   26  28 1
            29   28  29 1
            30   29  30 1
            31   15  31 1
            32   31  32 1
            33   32  33 1
            34   19  34 1
            35   34  35 1
            36   35  36 1
            37   36  37 1
            38   35  38 2
            39   36  39 1 #Down
            40   39  40 1
            41   41  42 2
            42   42  43 1
            43   43  40 2
            44   40  44 1
            45   44  45 2
            46   41  45 1
            47   37  46 1
            48   46  47 1
            49   46  48 2
            50   47  49 1
            51   49  50 1
            52   47  51 1 #Down
            53   52  53 1
            54   53  54 2
            55   54  55 1
            56   55  50 1
            57   52  50 2
            58   20  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   59  61 2
            64   51  62 1
            65   63  62 1 #Up
            66   62  64 2
            67   63  65 1
            68   65  66 1
            69   66  67 1
            70   63  68 1
            71   68  69 1
            72   69  70 1
            73   66  71 2
            74   67  72 1
            75   67  73 1
            76   72  74 1
            77   74  75 1
            78   74  76 2
            79   70  77 1
            80   70  78 2
            81   73  79 1
            82   79  80 1
            83   80  81 1
            84   75  82 1
            85   75  83 1 #Down
            86   83  84 1
            87   82  85 1
            88   85  86 1
            89   85  87 2
            90   86  88 1
            91   86  89 1 #Down
            92   89  90 1
            93   90  91 1
            94   91  92 1
            95   90  93 2
            96   88  94 1
            97   94  95 2
            98   95  96 1
            99   96  97 2
            100  97  98 1
            101  98  99 2
            102  94  99 1
            103  97 100 1
            104 101 102 2
            105 102 103 1
            106 103 104 1
            107 104 105 1
            108  29 102 1 #Up
            109 105 106 1
            110 105 107 2
            111 106 108 1
            112 108 109 1
            113 108 110 1 #Up
            114 110 111 1
            115 110 112 2
            116 113 111 1 #Up
            117 109 114 1
            118 113 115 1
            119 113 116 1
            120 116 117 1
            121 116 118 2
            122 117 119 1
            123 119 120 1
            124 119 121 1 #Down
            125 121 122 2
            126 121 123 1
            127 124 123 1 #Down
            128 124 125 1
            129 125 126 1
            130 125 127 2
            131 114 128 1
            132 128 129 1
            133 115 130 1
            134 130 131 1
            135 131 132 1
            136 132 133 1
            137 120 134 1
            138 124 135 1
            139 135 136 1
            140 136 137 1
            141 137 138 1
            142 138 139 1
            143 139 140 1
            144 139 141 2
            145  30 142 1
            146  30 143 1
            147 134 144 1
            148 145 146 1
            149 146   1 1
            150   1 147 2
            151 147 148 1
            152 145 148 1
            153 145 149 2
            154 149 150 1
            155 150 151 2
            156 151 152 1
            157 146 152 2
            158 129 153 1
            159 144 154 1
            160 154 155 1
            161 155 156 1
            162 155 157 2
            163 158 159 1
            164 158 160 1
            165 158 161 2
            166 162 163 1
            167 162 164 1
            168 162 165 2
            169 166 167 1
            170 166 168 1
            171 166 169 2
            172 170 171 1
            173 170 172 1
            174 170 173 2
            175 174 175 1
            176 174 176 1
            177 174 177 2
            178 178 179 1
            179 178 180 1
            180 178 181 2
BRACKET     1    27.7900  -44.3800   27.7900  -40.8800
            1    33.0400  -40.8800   33.0400  -44.3800
            1  6
 ORIGINAL  1  158 159 160 161
 REPEAT    1  162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177
            1  178 179 180 181

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