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
Other
 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
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melanocortin
    MC2R
     D09801  Giractide acetate (JAN)
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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