KEGG   DRUG: Giractide
Entry
D09937                      Drug                                   

Name
Giractide (INN)
Formula
C100H156N34O22S
Exact mass
2217.1854
Mol weight
2218.5882
Structure
Simcomp
Sequence
Gly Tyr Ser Met Glu His Phe Arg Trp Gly Lys Pro Val Gly Lys Lys
Arg Arg-NH2
  Type
Peptide
Class
Other
 DG01629  Adrenocorticotropic hormone (ACTH)
Remark
Chemical structure group: DG01344
Efficacy
Melanocortin 2 receptor agonist
Comment
syntheses Corticotropin (ACTH) [CPD:C02017]
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
     D09937  Giractide (INN)
Other DBs
CAS: 24870-04-0
PubChem: 124490623
ChEMBL: CHEMBL2370090
LinkDB
KCF data

ATOM        157
            1   C8y C    11.9000  -19.0400
            2   C1b C    13.1600  -19.7400
            3   C1c C    14.3500  -19.0400
            4   N1b N    15.5400  -19.7400
            5   C5a C    14.3500  -16.5200
            6   O5a O    13.1600  -15.8200
            7   N1b N    15.5400  -15.8200
            8   C1b C    16.8000  -16.5200
            9   C5a C    17.9900  -15.7500
            10  N1b N    19.1800  -16.4500
            11  O5a O    17.9900  -14.3500
            12  C1c C    20.3700  -15.7500
            13  C5a C    21.5600  -16.4500
            14  C1b C    20.3700  -14.3500
            15  C1b C    21.5600  -13.6500
            16  N1y N    22.7500  -15.7500
            17  C5a C    15.5400  -21.1400
            18  O5a O    14.3500  -21.8400
            19  C1c C    16.7300  -21.8400
            20  C1b C    16.7300  -23.2400
            21  O5a O    21.5600  -17.8500
            22  C1x C    24.6400  -14.4200
            23  C1x C    23.1700  -14.4200
            24  C1y C    23.9400  -16.5900
            25  C1x C    25.0600  -15.7500
            26  C5a C    23.9400  -18.2700
            27  O5a O    22.6800  -18.9700
            28  N1b N    25.1300  -18.9700
            29  C1c C    26.3200  -18.2700
            30  C1c C    26.3200  -17.2900
            31  C1b C    21.5600  -12.1800
            32  C1b C    22.7500  -11.4800
            33  N1a N    22.7500  -10.0800
            34  N1b N    17.9200  -21.1400
            35  C5a C    19.1100  -21.8400
            36  C1c C    20.3000  -21.1400
            37  N1b N    21.4900  -21.8400
            38  O5a O    19.1100  -23.2400
            39  C1b C    20.3000  -19.7400
            40  C8y C    19.0400  -19.1100
            41  C8x C    16.5900  -17.7100
            42  C8x C    16.5900  -19.1100
            43  C8x C    17.7800  -19.8100
            44  C8x C    19.0400  -17.7100
            45  C8x C    17.7800  -17.0100
            46  C5a C    22.6800  -21.1400
            47  C1c C    23.9400  -21.8400
            48  O5a O    22.6800  -19.8800
            49  C1b C    25.1300  -21.1400
            50  C8y C    26.3200  -21.8400
            51  N1b N    23.9400  -23.7300
            52  C8x C    26.7400  -23.1700
            53  N5x N    28.1400  -23.1700
            54  C8x C    28.5600  -21.9100
            55  N4x N    27.4400  -21.0000
            56  C1b C    15.5400  -23.9400
            57  C1b C    14.3500  -23.2400
            58  N1b N    13.1600  -23.9400
            59  C2c C    11.9000  -23.2400
            60  N1a N    10.7100  -23.9400
            61  N2a N    11.9000  -21.8400
            62  C5a C    25.1300  -24.4300
            63  C1c C    25.1300  -25.9000
            64  O5a O    26.3200  -23.7300
            65  N1b N    26.3200  -26.6000
            66  C5a C    27.5100  -25.9000
            67  C1c C    28.7000  -26.6000
            68  C1b C    23.9400  -26.6000
            69  C1b C    22.6800  -25.9000
            70  C6a C    21.4900  -26.6000
            71  O5a O    27.5100  -24.4300
            72  N1b N    29.8900  -25.9000
            73  C1b C    28.7000  -28.0000
            74  C5a C    31.0800  -26.6000
            75  C1c C    32.2700  -25.9000
            76  O5a O    31.0800  -27.7200
            77  O6a O    20.3000  -25.9000
            78  O6a O    21.4900  -28.0000
            79  C1b C    27.5100  -28.7000
            80  S2a S    26.3200  -28.0000
            81  C1a C    25.1300  -28.7000
            82  N1b N    33.4600  -26.6000
            83  C1b C    32.2700  -24.4300
            84  O1a O    33.4600  -23.7300
            85  C5a C    34.6500  -25.9000
            86  C1c C    35.9100  -26.6000
            87  O5a O    34.6500  -24.4300
            88  C1b C    37.1000  -25.9000
            89  N1b N    35.9100  -28.0000
            90  C5a C    34.6500  -28.7000
            91  C1b C    33.4600  -28.0000
            92  N1a N    32.2700  -28.7000
            93  O5a O    34.6500  -30.1000
            94  C8y C    38.3600  -26.6000
            95  C8x C    38.3600  -28.0000
            96  C8x C    39.5500  -28.7000
            97  C8y C    40.7400  -28.0000
            98  C8x C    40.7400  -26.6000
            99  C8x C    39.5500  -25.9000
            100 O1a O    42.0000  -28.7000
            101 O5a O    27.5100  -20.0900
            102 C5a C    27.5100  -18.9700
            103 N1b N    28.7000  -18.3400
            104 C1b C    28.7000  -16.8000
            105 C5a C    29.8900  -16.1700
            106 N1b N    29.8900  -14.7700
            107 O5a O    31.1500  -16.8700
            108 C1c C    31.1500  -14.0700
            109 C1b C    31.1500  -12.6700
            110 C5a C    32.3400  -14.8400
            111 N1b N    33.5300  -14.1400
            112 O5a O    32.3400  -16.2400
            113 C1c C    34.7200  -14.8400
            114 C1b C    32.3400  -11.9700
            115 C1b C    35.9800  -14.1400
            116 C5a C    34.7200  -16.3100
            117 N1b N    33.5300  -16.9400
            118 O5a O    35.9800  -17.0100
            119 C1c C    33.5300  -18.3400
            120 C1b C    32.4100  -18.8300
            121 C5a C    34.7200  -19.0400
            122 O5a O    36.0500  -18.3400
            123 N1b N    34.7200  -20.4400
            124 C1c C    35.9800  -21.1400
            125 C5a C    37.2400  -20.4400
            126 N1a N    37.2400  -19.0400
            127 O5a O    38.4300  -21.1400
            128 C1b C    33.5300  -12.6700
            129 C1b C    34.7200  -12.0400
            130 C1b C    37.2400  -14.9100
            131 C1b C    38.5000  -14.1400
            132 C1b C    39.6900  -14.9100
            133 N1a N    40.8800  -14.2100
            134 C1b C    32.4100  -20.0900
            135 C1b C    35.9800  -22.5400
            136 C1b C    37.1700  -23.2400
            137 C1b C    38.3600  -22.5400
            138 N1b N    39.5500  -23.2400
            139 C2c C    40.7400  -22.5400
            140 N1a N    41.9300  -23.2400
            141 N2a N    40.7400  -21.1400
            142 C1a C    27.5100  -16.5900
            143 C1a C    25.1300  -16.5900
            144 C1b C    31.3600  -20.6500
            145 C8y C    10.5700  -17.2200
            146 C8y C    10.5700  -18.6200
            147 C8x C    12.8100  -17.9200
            148 N4x N    11.9000  -16.8000
            149 C8x C     9.3800  -16.5200
            150 C8x C     8.1200  -17.2200
            151 C8x C     8.1200  -18.6200
            152 C8x C     9.3800  -19.3200
            153 N1a N    35.9100  -12.8100
            154 N1b N    31.3600  -21.9100
            155 C2c C    30.3100  -22.4700
            156 N1a N    30.3100  -23.7300
            157 N2a N    29.1900  -21.9100
BOND        162
            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

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