KEGG   DRUG: D02021Help
Entry
D02021                      Drug                                   

Name
Secretin (JAN/USAN/INN);
Chirhostim (TN);
Secrepan (TN)
Formula
C128H216N44O38(R1)(R2)
Structure
Mol fileKCF fileDB searchJmolKegDraw
Sequence
His Ser Asp Gly Thr Phe Thr Ser Glu Leu Ser Arg Leu Arg Glu Gly
Ala Arg Leu Gln Arg Leu Leu Gln Gly Leu Val-NH2
  Type
Peptide
Activity
Stimulated pancreatic and gastric secretions to aid in the diagnosis pancreatic exocrine dysfunction and the diagnosis of gastrinoma
Remark
Same as: 
ATC code: 
Comment
Secretin (human) (CAS: 108153-74-8) (R1 = -H, R2 = -CH2COOH)
Secretin (porcine) (CAS: 17034-35-4) (R1 = -CH2OH, R2 = -COOH)
Target
secretin receptor agonist [HSA:6344] [KO:K04588]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04972  Pancreatic secretion  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CK Tests for pancreatic function
     V04CK01 Secretin
      D02021  Secretin (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Secretin receptor family
   Secretin
    secretin receptor
     Secretin
      D02021  Secretin (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
1393-25-5
PubChem: 
DrugBank: 
NIKKAJI: 
KCF data Show

ATOM        212
            1   C1c C     8.6256  -14.7349
            2   C5a C     9.8270  -15.4304
            3   N1b N    11.0345  -14.7345
            4   N5x N    11.0341  -13.3432
            5   C8y C     9.8256  -12.6479
            6   C1b C     8.6251  -13.3437
            7   C8x C    12.0656  -12.4122
            8   C8x C    11.5013  -11.1862
            9   N4x N    10.1163  -11.2905
            10  N1a N     7.4179  -15.4310
            11  O5a O     9.8273  -16.8317
            12  C1c C    12.2389  -15.4334
            13  C1b C    12.2379  -16.8317
            14  O1a O    13.4454  -17.5282
            15  N1b N    14.6545  -15.4422
            16  C5a C    13.4472  -14.7385
            17  O5a O    13.4484  -13.3463
            18  C1c C    15.8597  -14.7380
            19  C5a C    17.0733  -15.4451
            20  N1b N    18.2823  -14.7502
            21  O6a O    18.2833  -13.3510
            22  C6a C    17.0696  -12.6511
            23  C1b C    15.8607  -13.3459
            24  O6a O    17.0704  -11.2767
            25  O5a O    17.0723  -16.8477
            26  C1b C    19.5010  -15.4531
            27  C5a C    20.7022  -14.7580
            28  N1b N    21.9121  -15.4560
            29  C1c C    23.1158  -14.7595
            30  O5a O    20.7032  -13.3658
            31  C5a C    24.3241  -15.4566
            32  N1b N    25.5338  -14.7611
            33  C1a C    24.3263  -12.3229
            34  C1c C    23.1167  -13.0182
            35  O5a O    24.3232  -16.8514
            36  O1a O    21.9189  -12.3234
            37  C1c C    26.7416  -15.4619
            38  C1b C    26.7406  -16.8516
            39  C8y C    27.9496  -17.5487
            40  C8x C    29.1593  -16.8531
            41  N1b N    29.1602  -15.4634
            42  C5a C    27.9514  -14.7660
            43  C8x C    27.9487  -18.9419
            44  C8x C    29.1575  -19.6392
            45  C8x C    30.3600  -18.9434
            46  C8x C    30.3680  -17.5502
            47  O5a O    27.9523  -13.3690
            48  C1c C    30.3754  -14.7643
            49  C5a C    31.5761  -15.4609
            50  N1b N    32.7857  -14.7651
            51  C1a C    31.5792  -12.2575
            52  C1c C    30.3764  -12.9531
            53  O1a O    29.1684  -12.2566
            54  O5a O    31.5751  -16.8536
            55  C1c C    33.9989  -15.4649
            56  C1b C    33.9978  -16.8536
            57  O1a O    35.1998  -17.5509
            58  N1b N    36.4107  -15.4663
            59  C5a C    35.2017  -14.7690
            60  O5a O    35.2025  -13.3704
            61  C1c C    37.6265  -14.7671
            62  C5a C    38.8259  -15.4631
            63  N1b N    40.0357  -14.7673
            64  C1b C    38.8303  -12.6782
            65  C1b C    37.6274  -13.3739
            66  O5a O    38.8251  -16.8549
            67  C6a C    38.8316  -11.2814
            68  O6a O    40.0418  -10.5859
            69  O6a O    37.6299  -10.5835
            70  C1c C    41.2484  -15.4667
            71  C1b C    41.2475  -16.8548
            72  C1c C    42.4495  -17.5521
            73  C1a C    43.6596  -16.8565
            74  N1b N    43.6605  -15.4684
            75  C5a C    42.4515  -14.7709
            76  C1a C    42.4487  -18.9447
            77  O5a O    42.4521  -13.3715
            78  C1c C    44.8782  -14.7682
            79  C5a C    46.0780  -15.4644
            80  O1a O    46.0821  -12.6790
            81  C1b C    44.8790  -13.3749
            82  C5a C    48.4965  -16.8583
            83  C1c C    48.4974  -15.4660
            84  N1b N    47.2881  -14.7683
            85  O5a O    46.0769  -16.8565
            86  O5a O    49.7045  -17.5592
            87  C1b C    49.7079  -14.7658
            88  C1b C    49.7088  -13.3729
            89  C1b C    50.9224  -12.6748
            90  N1b N    50.9232  -11.2841
            91  C2c C    49.7151  -10.5871
            92  N1a N    48.5115  -11.2834
            93  N2a N    49.7161   -9.1934
            94  N1b N    47.2883  -17.5536
            95  C1c C    47.3001  -18.9487
            96  C5a C    46.1043  -19.6575
            97  N1b N    46.1388  -21.0511
            98  C1a C    47.2855  -21.7360
            99  C1c C    48.4813  -21.0271
            100 C1b C    48.5169  -19.6335
            101 C1a C    49.6882  -21.7066
            102 O5a O    44.8842  -18.9463
            103 C1c C    44.8712  -21.7126
            104 C1b C    43.6731  -20.9956
            105 C1b C    42.4633  -21.6924
            106 C1b C    41.2605  -20.9956
            107 N1b N    40.0507  -21.6924
            108 C2c C    38.8413  -20.9956
            109 N1a N    37.6385  -21.6924
            110 C5a C    44.8883  -23.0853
            111 O5a O    46.1450  -23.7649
            112 N1b N    43.7322  -23.7994
            113 C1c C    43.7668  -25.2080
            114 N2a N    38.8413  -19.5871
            115 C5a C    42.5015  -25.9163
            116 N1b N    42.5152  -27.3162
            117 Z   R#   44.9270  -27.2853
            118 C1b C    44.9129  -25.8924
            119 O5a O    41.2806  -25.2358
            120 C1c C    41.2899  -27.9982
            121 C5a C    40.0948  -27.2891
            122 N1b N    38.8783  -27.9733
            123 Z   R#   41.2755  -29.3982
            124 O5a O    40.1092  -25.9101
            125 C1c C    37.6693  -27.2609
            126 C5a C    36.4665  -27.9575
            127 O5a O    36.4650  -29.3507
            128 C1a C    37.6763  -25.8677
            129 N1b N    35.2544  -27.2599
            130 C1c C    34.0451  -27.9565
            131 C5a C    32.8425  -27.2599
            132 N1b N    31.6315  -27.9575
            133 C1c C    30.4209  -27.2602
            134 O5a O    32.8425  -25.8672
            135 C1b C    34.0451  -29.3506
            136 C1b C    32.8413  -30.0475
            137 C1b C    32.8406  -31.4407
            138 N1b N    31.6315  -32.1364
            139 C2c C    30.4224  -31.4394
            140 N1a N    29.2179  -32.1365
            141 N2a N    30.4229  -30.0475
            142 C1b C    30.4209  -25.8677
            143 C1c C    29.2186  -25.1714
            144 C1a C    28.0091  -25.8677
            145 N1b N    28.0091  -27.2602
            146 C5a C    29.2186  -27.9570
            147 O5a O    29.2186  -29.3507
            148 C1a C    29.2186  -23.7777
            149 C1c C    26.7969  -27.9577
            150 C5a C    25.5947  -27.2604
            151 N1b N    24.3851  -27.9565
            152 C1b C    25.5935  -30.0470
            153 C1b C    26.7964  -29.3507
            154 O5a O    25.5953  -25.8682
            155 C5a C    25.5938  -31.4412
            156 O5a O    26.7967  -32.1374
            157 N1a N    24.3847  -32.1381
            158 C1c C    23.1754  -27.2591
            159 C5a C    21.9701  -27.9567
            160 C1b C    23.1762  -25.8682
            161 N1b N    20.7614  -27.2596
            162 C1c C    19.5497  -27.9570
            163 C1b C    24.3839  -25.1732
            164 C1b C    24.3839  -23.7784
            165 N1b N    25.5935  -23.0817
            166 C2c C    25.5941  -21.6812
            167 N2a N    26.7969  -20.9851
            168 N1a N    24.3849  -20.9842
            169 O5a O    21.9694  -29.3514
            170 C5a C    18.3479  -27.2599
            171 N1b N    17.1381  -27.9562
            172 C1a C    17.1374  -29.3494
            173 C1c C    18.3462  -30.0465
            174 C1b C    19.5490  -29.3501
            175 C1a C    18.3457  -31.4414
            176 O5a O    18.3486  -25.8684
            177 C1c C    15.9281  -27.2586
            178 C1b C    15.9287  -25.8684
            179 C1c C    14.7265  -25.1712
            180 C1a C    13.5168  -25.8672
            181 O5a O    13.5162  -27.2575
            182 C5a C    14.7253  -27.9546
            183 C1a C    14.7272  -23.7780
            184 N1b N    14.7224  -29.3512
            185 C1c C    13.5112  -30.0453
            186 C1b C    12.3050  -29.3469
            187 C5a C    13.5080  -31.4412
            188 C1b C    12.3017  -27.9580
            189 C5a C    11.0974  -27.2643
            190 N1a N     9.8916  -27.9627
            191 O5a O    11.1638  -25.8677
            192 O5a O    12.3000  -32.1333
            193 N1b N    14.7187  -32.1419
            194 C1b C    14.7222  -33.5306
            195 C5a C    15.9262  -34.2242
            196 N1b N    17.1320  -33.5258
            197 C1c C    18.3481  -34.2221
            198 C1b C    18.3518  -35.6204
            199 C1c C    19.5560  -36.3141
            200 C1a C    20.7636  -35.6144
            201 N1b N    20.7601  -34.2160
            202 C5a C    19.5490  -33.5224
            203 O5a O    15.9298  -35.6204
            204 O5a O    19.5454  -32.1374
            205 C1a C    19.5495  -37.7108
            206 C1c C    21.9555  -33.5194
            207 C5a C    23.1771  -34.2189
            208 C1c C    21.9521  -31.4410
            209 C1a C    20.7561  -30.7519
            210 C1a C    23.1680  -30.7365
            211 O5a O    24.3783  -33.5233
            212 N1a N    23.1808  -35.6208
BOND        213
            1     1   2 1
            2     2   3 1
            3     4   5 2
            4     5   6 1
            5     1   6 1
            6     4   7 1
            7     7   8 2
            8     8   9 1
            9     5   9 1
            10    1  10 1
            11    2  11 2
            12    3  12 1
            13   12  13 1
            14   13  14 1
            15   15  16 1
            16   12  16 1
            17   16  17 2
            18   15  18 1
            19   18  19 1
            20   19  20 1
            21   21  22 2
            22   22  23 1
            23   18  23 1
            24   22  24 1
            25   19  25 2
            26   20  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   27  30 2
            31   29  31 1
            32   31  32 1
            33   33  34 1
            34   29  34 1
            35   31  35 2
            36   34  36 1
            37   32  37 1
            38   37  38 1
            39   38  39 1
            40   39  40 1
            41   41  42 1
            42   37  42 1
            43   39  43 2
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   40  46 2
            48   42  47 2
            49   41  48 1
            50   48  49 1
            51   49  50 1
            52   51  52 1
            53   48  52 1
            54   52  53 1
            55   49  54 2
            56   50  55 1
            57   55  56 1
            58   56  57 1
            59   58  59 1
            60   55  59 1
            61   59  60 2
            62   58  61 1
            63   61  62 1
            64   62  63 1
            65   64  65 1
            66   61  65 1
            67   62  66 2
            68   64  67 1
            69   67  68 2
            70   67  69 1
            71   63  70 1
            72   70  71 1
            73   71  72 1
            74   72  73 1
            75   74  75 1
            76   70  75 1
            77   72  76 1
            78   75  77 2
            79   74  78 1
            80   78  79 1
            81   80  81 1
            82   78  81 1
            83   82  83 1
            84   83  84 1
            85   79  84 1
            86   79  85 2
            87   82  86 2
            88   83  87 1
            89   87  88 1
            90   88  89 1
            91   89  90 1
            92   90  91 1
            93   91  92 1
            94   91  93 2
            95   82  94 1
            96   95  96 1
            97   96  97 1
            98   98  99 1
            99   99 100 1
            100  95 100 1
            101  99 101 1
            102  96 102 2
            103  97 103 1
            104 103 104 1
            105 104 105 1
            106 105 106 1
            107 106 107 1
            108 107 108 1
            109 108 109 1
            110 103 110 1
            111 110 111 2
            112 110 112 1
            113 112 113 1
            114 108 114 2
            115 113 115 1
            116 115 116 1
            117 117 118 1
            118 113 118 1
            119 115 119 2
            120 116 120 1
            121 120 121 1
            122 121 122 1
            123 120 123 1
            124 121 124 2
            125 122 125 1
            126 125 126 1
            127 126 127 2
            128 125 128 1
            129 126 129 1
            130 129 130 1
            131 130 131 1
            132 131 132 1
            133 132 133 1
            134 131 134 2
            135 130 135 1
            136 135 136 1
            137 136 137 1
            138 137 138 1
            139 138 139 1
            140 139 140 1
            141 139 141 2
            142 133 142 1
            143 142 143 1
            144 143 144 1
            145 145 146 1
            146 133 146 1
            147 146 147 2
            148 143 148 1
            149 145 149 1
            150 149 150 1
            151 150 151 1
            152 152 153 1
            153 149 153 1
            154 150 154 2
            155 152 155 1
            156 155 156 2
            157 155 157 1
            158 151 158 1
            159 158 159 1
            160 158 160 1
            161 159 161 1
            162 161 162 1
            163 160 163 1
            164 163 164 1
            165 164 165 1
            166 165 166 1
            167 166 167 2
            168 166 168 1
            169 159 169 2
            170 162 170 1
            171 170 171 1
            172 172 173 1
            173 173 174 1
            174 162 174 1
            175 173 175 1
            176 170 176 2
            177 171 177 1
            178 177 178 1
            179 178 179 1
            180 179 180 1
            181 181 182 2
            182 177 182 1
            183 179 183 1
            184 182 184 1
            185 184 185 1
            186 185 186 1
            187 185 187 1
            188 186 188 1
            189 188 189 1
            190 189 190 1
            191 189 191 2
            192 187 192 2
            193 187 193 1
            194 193 194 1
            195 194 195 1
            196 195 196 1
            197 196 197 1
            198 197 198 1
            199 198 199 1
            200 199 200 1
            201 201 202 1
            202 197 202 1
            203 195 203 2
            204 202 204 2
            205 199 205 1
            206 201 206 1
            207 206 207 1
            208 206 208 1
            209 208 209 1
            210 208 210 1
            211 207 211 2
            212 207 212 1
            213  94  95 1

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