KEGG   DRUG: Sermorelin acetate
Entry
D02117                      Drug                                   
Name
Sermorelin acetate (USAN);
Sermorelin acetate hydrate;
Geref (TN)
Formula
C149H246N44O42S. (C2H4O2)x. xH2O
Structure
Simcomp
Remark
ATC code: H01AC04 V04CD03
Chemical structure group: DG00494
Efficacy
Diagnostic (pituitary function determination), Growth hormone releasing hormone receptor agonist
Comment
Growth hormone releasing hormone (GH-RH) analog
Target
GHRHR [HSA:2692] [KO:K04584]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01A ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
    H01AC Somatropin and somatropin agonists
     H01AC04 Sermorelin
      D02117  Sermorelin acetate (USAN)
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CD Tests for pituitary function
     V04CD03 Sermorelin
      D02117  Sermorelin acetate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Secretin receptor family
   Growth hormone-releasing hormone
    GHRHR
     D02117  Sermorelin acetate (USAN)
Other DBs
CAS: 114466-38-5
PubChem: 7849178
LinkDB
KCF data

ATOM        241
            1   C1c C    23.4751   -8.5780
            2   C1b C    23.4751   -9.9514
            3   N1b N    22.2542   -7.8692
            4   C5a C    24.6961   -7.8692
            5   C8y C    24.7072  -10.6491
            6   C5a C    21.0550   -8.5780
            7   N1b N    25.8953   -8.5669
            8   O5a O    24.6961   -6.4954
            9   C8x C    24.7072  -12.0121
            10  C8x C    25.8953   -9.9407
            11  C1c C    19.8447   -7.8910
            12  O5a O    21.0550   -9.9514
            13  C1c C    27.1056   -7.8692
            14  C8x C    25.8953  -12.7098
            15  C8x C    27.1056  -10.6055
            16  N1b N    18.6236   -8.5780
            17  C1c C    19.8339   -6.4954
            18  C5a C    28.3047   -8.5669
            19  C1c C    27.1056   -6.4736
            20  C8x C    27.1056  -12.0121
            21  C5a C    17.4245   -7.9020
            22  C1b C    21.0550   -5.8087
            23  C1a C    18.6236   -5.8087
            24  N1b N    29.5150   -7.8584
            25  O5a O    28.3047   -9.9296
            26  C1a C    28.3047   -5.7869
            27  O1a O    25.8735   -5.7869
            28  C1c C    16.2146   -8.5887
            29  O5a O    17.4245   -6.5172
            30  C1a C    21.0924   -4.4351
            31  C1c C    30.7360   -8.5344
            32  N1b N    14.9936   -7.9020
            33  C1a C    16.2146   -9.9731
            34  C5a C    31.9459   -7.8584
            35  C1b C    30.7360   -9.9296
            36  C5a C    13.7941   -8.5887
            37  N1b N    33.1451   -8.5233
            38  O5a O    31.9459   -6.4736
            39  C5a C    31.9677  -10.6055
            40  C1c C    12.5842   -7.9128
            41  O5a O    13.7941   -9.9842
            42  C1c C    34.3661   -7.8473
            43  N1a N    31.9677  -11.9574
            44  O5a O    33.1561   -9.9296
            45  N1b N    11.3631   -8.5887
            46  C1b C    12.5842   -6.5172
            47  C5a C    35.5871   -8.5233
            48  C1b C    34.3661   -6.4736
            49  C5a C    10.1639   -7.9128
            50  C6a C    13.7941   -5.8305
            51  N1b N    36.7755   -7.8473
            52  O5a O    35.5282   -9.9188
            53  O1a O    35.5871   -5.7761
            54  C1c C     8.9538   -8.5998
            55  O5a O    10.1529   -6.5283
            56  O6a O    14.9936   -6.5172
            57  O6a O    13.7941   -4.4351
            58  C1c C    37.9965   -8.5233
            59  N1b N     7.7545   -7.9128
            60  C1a C     8.9538   -9.9949
            61  C1b C    39.1957   -7.8473
            62  C5a C    37.9965   -9.9188
            63  C5a C     6.5335   -8.6216
            64  C8y C    39.1957   -6.4410
            65  N1b N    39.2286  -10.5947
            66  O5a O    36.7755  -10.5947
            67  C1c C     5.3126   -7.9239
            68  O5a O     6.5335   -9.9949
            69  C8x C    40.4167   -5.7651
            70  C8x C    37.9965   -5.7651
            71  C1c C    39.1957  -12.9586
            72  C1b C     5.3126   -6.5501
            73  N1a N     4.1134   -8.6216
            74  C8x C    40.4167   -4.3589
            75  C8x C    37.9965   -4.3915
            76  C5a C    37.9965  -13.6564
            77  C1b C    40.4059  -13.6564
            78  C8y C     6.5335   -5.8523
            79  C8y C    39.1957   -3.6719
            80  N1b N    37.9965  -15.0300
            81  O5a O    36.7647  -12.9586
            82  C1b C    40.4167  -15.0300
            83  C8x C     7.7545   -6.5283
            84  C8x C     6.5225   -4.4569
            85  O1a O    39.1957   -2.2984
            86  C1c C    36.7755  -15.7389
            87  C1b C    41.6377  -15.7278
            88  C8x C     8.9538   -5.8305
            89  C8x C     7.7220   -3.7702
            90  C5a C    35.5871  -15.0411
            91  C1b C    36.7755  -17.1233
            92  N1b N    41.6377  -17.1123
            93  C8y C     8.9538   -4.4461
            94  N1b N    34.3554  -15.7278
            95  O5a O    35.5546  -13.6564
            96  C1b C    37.9965  -17.8100
            97  C2c C    40.4167  -17.7882
            98  O1a O    10.1639   -3.7484
            99  C1c C    33.1343  -15.0193
            100 C1b C    38.0076  -19.1837
            101 N1a N    40.3795  -19.1837
            102 N2a N    39.2286  -17.1123
            103 C5a C    31.9133  -15.6734
            104 C1c C    33.0751  -13.6456
            105 C1b C    39.2286  -19.8814
            106 N1b N    30.7031  -14.9974
            107 O5a O    31.9022  -17.0905
            108 C1a C    34.2961  -12.9586
            109 C1a C    31.8541  -12.9368
            110 N1a N    39.1694  -21.2552
            111 C1c C    29.5039  -15.6734
            112 C5a C    28.2721  -14.9864
            113 C1b C    29.4932  -17.0797
            114 N1b N    27.0620  -15.6623
            115 O5a O    28.2829  -13.5909
            116 C1c C    28.2611  -17.7557
            117 C1b C    25.8628  -14.9646
            118 C1a C    27.0512  -17.0468
            119 C1a C    28.2503  -19.1400
            120 C5a C    24.6307  -15.6405
            121 N1b N    23.4533  -14.9427
            122 O5a O    24.6307  -17.0361
            123 C1c C    22.2105  -15.6187
            124 C5a C    21.0006  -14.9320
            125 C1b C    22.2105  -17.0361
            126 N1b N    19.7903  -15.6187
            127 O5a O    21.0006  -13.5366
            128 C1b C    21.0006  -17.7010
            129 C1c C    18.5911  -14.9320
            130 C5a C    20.9788  -19.0964
            131 C5a C    17.3702  -15.6187
            132 C1b C    18.5911  -13.5366
            133 N1a N    22.2105  -19.7724
            134 O5a O    19.7792  -19.7724
            135 N1b N    16.1599  -14.9320
            136 O5a O    17.3702  -17.0361
            137 C1c C    17.3702  -12.8606
            138 C1c C    14.9607  -15.6187
            139 C1a C    17.3702  -11.4650
            140 C1a C    16.1599  -13.5366
            141 C5a C    13.7505  -14.9320
            142 C1b C    14.9607  -17.0361
            143 N1b N    12.5295  -15.6187
            144 O5a O    13.7505  -13.5366
            145 O1a O    13.7397  -17.7120
            146 C1c C    11.3303  -14.9320
            147 C5a C    10.1092  -15.6187
            148 C1a C    11.3303  -13.5366
            149 N1b N     8.8994  -14.9320
            150 O5a O    10.1092  -17.0361
            151 C1c C     7.7002  -15.6187
            152 C5a C     7.7002  -17.0361
            153 C1b C     6.4791  -14.9320
            154 N1b N     6.4681  -17.7010
            155 O5a O     8.8994  -17.7120
            156 C1b C     6.4791  -13.5366
            157 C1c C     6.4681  -19.0964
            158 C1b C     5.2579  -12.8498
            159 C5a C     5.2579  -19.7724
            160 C1b C     7.7002  -19.7724
            161 N1b N     4.0587  -13.5366
            162 N1b N     5.2361  -21.1679
            163 O5a O     4.0369  -19.0857
            164 C1b C     8.8883  -19.0857
            165 C2c C     4.0369  -14.9320
            166 C1c C     6.4573  -21.8546
            167 C1b C    10.0985  -19.7616
            168 N1a N     2.8269  -15.6080
            169 N2a N     5.2361  -15.6187
            170 C5a C     6.4463  -23.2393
            171 C1b C     7.6673  -21.1679
            172 C1b C    11.3084  -19.0638
            173 N1b N     7.6565  -23.9371
            174 O5a O     5.2253  -23.9153
            175 C1c C     8.8665  -21.8546
            176 N1a N    12.5187  -19.7506
            177 C1c C     7.6565  -25.3216
            178 C1a C     8.8776  -23.2393
            179 C1a C    10.0985  -21.1679
            180 C5a C     8.8665  -26.0301
            181 C1b C     6.4244  -26.0083
            182 N1b N    10.0985  -25.3323
            183 O5a O     8.8665  -27.4475
            184 C1c C     6.4137  -27.4475
            185 C1c C    11.3303  -26.0412
            186 C1a C     5.1928  -28.1233
            187 C1a C     7.6455  -28.1341
            188 C5a C    12.5624  -25.3434
            189 C1b C    11.3084  -27.4582
            190 N1b N    13.7616  -26.0630
            191 O5a O    12.5624  -23.9371
            192 C1b C    12.5295  -28.1559
            193 C1c C    14.9717  -25.3652
            194 C5a C    12.5187  -29.5843
            195 C5a C    16.2035  -26.0737
            196 C1b C    14.9936  -23.9589
            197 N1a N    13.7397  -30.2821
            198 O5a O    11.2977  -30.2710
            199 N1b N    17.4245  -25.3760
            200 O5a O    16.2035  -27.4911
            201 C6a C    16.2146  -23.2611
            202 C1c C    18.6565  -26.0848
            203 O6a O    17.4245  -23.9697
            204 O6a O    16.2253  -21.8439
            205 C5a C    19.8883  -25.3978
            206 C1c C    18.6565  -27.4911
            207 N1b N    21.0986  -26.1066
            208 O5a O    19.8883  -23.9804
            209 C1b C    17.4138  -28.1888
            210 C1a C    19.8557  -28.2106
            211 C1c C    22.3085  -25.3760
            212 C1a C    17.4138  -29.6061
            213 C5a C    23.5405  -26.0737
            214 C1b C    22.2978  -23.9804
            215 N1b N    24.7508  -25.3434
            216 O5a O    23.5516  -27.4911
            217 C1b C    23.4969  -23.2611
            218 C1c C    25.9826  -26.0412
            219 S2a S    23.4862  -21.8439
            220 C5a C    27.1817  -25.3323
            221 C1b C    26.0044  -27.4582
            222 C1a C    24.7072  -21.1354
            223 N1b N    28.4245  -26.0301
            224 O5a O    27.1817  -23.9371
            225 O1a O    24.7834  -28.1777
            226 C1c C    29.6456  -25.3105
            227 C1b C    29.7048  -23.9042
            228 C5a C    30.8558  -25.9975
            229 C1b C    30.9151  -23.1846
            230 N1a N    32.0878  -25.2780
            231 O5a O    30.8777  -27.4149
            232 C1b C    30.9740  -21.7677
            233 N1b N    32.1731  -21.0588
            234 C2c C    32.1731  -19.6633
            235 N1a N    33.3834  -18.9222
            236 N2a N    30.9415  -18.9548
            237 C6a C    38.1500  -24.7800
            238 C1a C    39.3639  -25.4827
            239 O6a O    36.9419  -25.4827
            240 O6a O    38.1500  -23.3803
            241 O0  O    38.9900  -27.8600
BOND        241
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   10  15 2
            15   11  16 1
            16   11  17 1
            17   13  18 1
            18   13  19 1
            19   14  20 2
            20   16  21 1
            21   17  22 1
            22   17  23 1
            23   18  24 1
            24   18  25 2
            25   19  26 1
            26   19  27 1
            27   21  28 1
            28   21  29 2
            29   22  30 1
            30   24  31 1
            31   28  32 1
            32   28  33 1
            33   31  34 1
            34   31  35 1
            35   32  36 1
            36   34  37 1
            37   34  38 2
            38   35  39 1
            39   36  40 1
            40   36  41 2
            41   37  42 1
            42   39  43 1
            43   39  44 2
            44   40  45 1
            45   40  46 1
            46   42  47 1
            47   42  48 1
            48   45  49 1
            49   46  50 1
            50   47  51 1
            51   47  52 2
            52   48  53 1
            53   49  54 1
            54   49  55 2
            55   50  56 1
            56   50  57 2
            57   51  58 1
            58   54  59 1
            59   54  60 1
            60   58  61 1
            61   58  62 1
            62   59  63 1
            63   61  64 1
            64   62  65 1
            65   62  66 2
            66   63  67 1
            67   63  68 2
            68   64  69 2
            69   64  70 1
            70   65  71 1
            71   67  72 1
            72   67  73 1
            73   69  74 1
            74   70  75 2
            75   71  76 1
            76   71  77 1
            77   72  78 1
            78   74  79 2
            79   76  80 1
            80   76  81 2
            81   77  82 1
            82   78  83 2
            83   78  84 1
            84   79  85 1
            85   80  86 1
            86   82  87 1
            87   83  88 1
            88   84  89 2
            89   86  90 1
            90   86  91 1
            91   87  92 1
            92   88  93 2
            93   90  94 1
            94   90  95 2
            95   91  96 1
            96   92  97 1
            97   93  98 1
            98   94  99 1
            99   96 100 1
            100  97 101 1
            101  97 102 2
            102  99 103 1
            103  99 104 1
            104 100 105 1
            105 103 106 1
            106 103 107 2
            107 104 108 1
            108 104 109 1
            109 105 110 1
            110 106 111 1
            111 111 112 1
            112 111 113 1
            113 112 114 1
            114 112 115 2
            115 113 116 1
            116 114 117 1
            117 116 118 1
            118 116 119 1
            119 117 120 1
            120 120 121 1
            121 120 122 2
            122 121 123 1
            123 123 124 1
            124 123 125 1
            125 124 126 1
            126 124 127 2
            127 125 128 1
            128 126 129 1
            129 128 130 1
            130 129 131 1
            131 129 132 1
            132 130 133 1
            133 130 134 2
            134 131 135 1
            135 131 136 2
            136 132 137 1
            137 135 138 1
            138 137 139 1
            139 137 140 1
            140 138 141 1
            141 138 142 1
            142 141 143 1
            143 141 144 2
            144 142 145 1
            145 143 146 1
            146 146 147 1
            147 146 148 1
            148 147 149 1
            149 147 150 2
            150 149 151 1
            151 151 152 1
            152 151 153 1
            153 152 154 1
            154 152 155 2
            155 153 156 1
            156 154 157 1
            157 156 158 1
            158 157 159 1
            159 157 160 1
            160 158 161 1
            161 159 162 1
            162 159 163 2
            163 160 164 1
            164 161 165 1
            165 162 166 1
            166 164 167 1
            167 165 168 1
            168 165 169 2
            169 166 170 1
            170 166 171 1
            171 167 172 1
            172 170 173 1
            173 170 174 2
            174 171 175 1
            175 172 176 1
            176 173 177 1
            177 175 178 1
            178 175 179 1
            179 177 180 1
            180 177 181 1
            181 180 182 1
            182 180 183 2
            183 181 184 1
            184 182 185 1
            185 184 186 1
            186 184 187 1
            187 185 188 1
            188 185 189 1
            189 188 190 1
            190 188 191 2
            191 189 192 1
            192 190 193 1
            193 192 194 1
            194 193 195 1
            195 193 196 1
            196 194 197 1
            197 194 198 2
            198 195 199 1
            199 195 200 2
            200 196 201 1
            201 199 202 1
            202 201 203 1
            203 201 204 2
            204 202 205 1
            205 202 206 1
            206 205 207 1
            207 205 208 2
            208 206 209 1
            209 206 210 1
            210 207 211 1
            211 209 212 1
            212 211 213 1
            213 211 214 1
            214 213 215 1
            215 213 216 2
            216 214 217 1
            217 215 218 1
            218 217 219 1
            219 218 220 1
            220 218 221 1
            221 219 222 1
            222 220 223 1
            223 220 224 2
            224 221 225 1
            225 223 226 1
            226 226 227 1
            227 226 228 1
            228 227 229 1
            229 228 230 1
            230 228 231 2
            231 229 232 1
            232 232 233 1
            233 233 234 1
            234 234 235 1
            235 234 236 2
            236  15  20 1
            237  75  79 1
            238  89  93 1
            239 237 238 1
            240 237 239 1
            241 237 240 2
BRACKET     1    35.4900  -26.3200   35.4900  -22.6800
            1    40.6700  -22.6800   40.6700  -26.3200
            1  x
 ORIGINAL  1  237 238 239 240
 REPEAT    1
            2    36.7500  -28.6300   36.7500  -27.0200
            2    39.7600  -27.0200   39.7600  -28.6300
            2  x
 ORIGINAL  2  241
 REPEAT    2

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