KEGG   DRUG: Linaclotide
Entry
D09355                      Drug                                   
Name
Linaclotide (JAN/USAN);
Linzess (TN);
Constella (TN)
Product
LINZESS (Allergan)
Formula
C59H79N15O21S6
Exact mass
1525.3899
Mol weight
1526.75
Structure
Simcomp
Sequence
Cys Cys Glu Tyr Cys Cys Asn Pro Ala Cys Thr Gly Cys Tyr
(Disulfide bridge: 1-6, 2-10, 5-13)
  Type
Peptide
Class
Gastrointestinal agent
 DG01770  Laxative
Remark
Therapeutic category: 2399
ATC code: A06AX04
Chemical structure group: DG00079
Product (DG00079): D09355<JP/US>
Efficacy
Peristaltic accelerator, Enterotoxin receptor agonist
  Disease
Irritable bowel syndrome [DS:H01615]
Comment
Treatment of irritabele bowel syndrome with constipation (IBS-C), chronic constipation and other gastrointestinal disorders
Target
GUCY2C [HSA:2984] [KO:K12320]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AX Other drugs for constipation
     A06AX04 Linaclotide
      D09355  Linaclotide (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Anti-constipation Agents
   Linaclotide
    D09355  Linaclotide (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D09355  Linaclotide (JAN/USAN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01770  Laxative
   DG00079  Linaclotide
    D09355  Linaclotide
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01770  Laxative
   D09355  Linaclotide
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Phosphorus-oxygen lyases
    GUCY2C
     D09355  Linaclotide (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09355
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09355
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09355
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09355
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01770  Laxative
   DG00079  Linaclotide
Other DBs
CAS: 851199-59-2
PubChem: 96026035
ChEBI: 68551
LigandBox: D09355
LinkDB
KCF data

ATOM        101
            1   C6a C     5.1100  -12.9500
            2   C1b C     6.3000  -13.6500
            3   C1b C     7.5600  -12.9500
            4   C1y C     8.7500  -13.6500
            5   N1x N     9.9400  -12.9500
            6   C5x C    11.2000  -13.6500
            7   C1y C    12.3900  -12.9500
            8   N1x N    13.5800  -13.6500
            9   C5x C    14.8400  -12.9500
            10  C1y C    16.0300  -13.6500
            11  C1x C    17.2200  -12.9500
            12  S3x S    18.4800  -13.6500
            13  S3x S    18.4800  -15.0500
            14  C1x C    17.2900  -15.7500
            15  C1y C    17.2900  -17.1500
            16  N1x N    16.1000  -17.8500
            17  C5x C    14.8400  -17.1500
            18  C1y C    13.6500  -17.8500
            19  N1x N    12.4600  -17.1500
            20  C5x C    11.2000  -17.8500
            21  C1y C    10.0100  -17.1500
            22  C1b C     8.8200  -17.8500
            23  O5x O    14.8400  -15.7500
            24  C1b C    13.6500  -21.9100
            25  O5x O    11.2000  -19.2500
            26  C8y C     8.8200  -19.2500
            27  N1x N    10.0100  -15.7500
            28  C5x C     8.7500  -15.0500
            29  O5x O    11.2000  -14.8400
            30  C1b C    12.3900  -11.5500
            31  O5x O    14.8400  -11.5500
            32  N1a N    16.0300  -14.8400
            33  S3a S    13.5800  -10.8500
            34  C5a C    18.4800  -17.8500
            35  N1b N    19.7400  -17.1500
            36  C1c C    20.9300  -17.8500
            37  C5a C    22.1200  -17.1500
            38  N1y N    23.3800  -17.8500
            39  O5a O    18.4800  -19.2500
            40  C8x C     7.6300  -19.9500
            41  C8x C     7.6300  -21.3500
            42  C8y C     8.8200  -22.0500
            43  C8x C    10.0100  -21.3500
            44  C8x C    10.0100  -19.9500
            45  O1a O     8.8200  -23.4500
            46  O5x O     7.6300  -15.7500
            47  O5a O    22.1200  -15.7500
            48  C1x C    23.3800  -19.2500
            49  C1x C    24.7100  -19.6700
            50  C1x C    25.4800  -18.5500
            51  C1y C    24.7100  -17.4300
            52  C5a C    25.1300  -16.1000
            53  O5a O    26.5300  -15.8200
            54  N1b N    24.2200  -15.0500
            55  C1c C    24.2200  -13.6500
            56  C5a C    25.4100  -12.9500
            57  C1a C    23.0300  -12.9500
            58  O5a O    26.6000  -13.6500
            59  N1b N    25.4100  -11.5500
            60  C1c C    24.2200  -10.8500
            61  C1b C    23.0300  -11.5500
            62  C5a C    24.2200   -9.4500
            63  S3a S    21.9100  -10.8500
            64  N1b N    25.4100   -8.7500
            65  C1c C    26.6000   -9.4500
            66  O5a O    23.0300   -8.7500
            67  C5a C    26.6000  -10.8500
            68  N1b N    27.8600  -11.5500
            69  C1b C    27.8600  -12.9500
            70  C1c C    27.7900   -8.7500
            71  O1a O    28.9800   -9.4500
            72  C1a C    27.7900   -7.3500
            73  S3a S    14.8400  -22.6100
            74  S3a S    25.0600  -22.6100
            75  C5a C    29.0500  -13.6500
            76  N1b N    29.0500  -19.8800
            77  O5a O    27.8600  -10.1500
            78  C1b C    20.3700  -19.2500
            79  C5a C    21.0700  -20.4400
            80  O5a O    22.4000  -20.4400
            81  N1a N    20.3000  -21.7000
            82  O5a O    30.2400  -12.9500
            83  C1c C    27.5800  -21.0000
            84  C1b C    26.1800  -21.0000
            85  C5a C    28.2800  -22.1900
            86  N1b N    29.6800  -22.1900
            87  C1c C    30.8700  -22.9600
            88  C1b C    32.1300  -22.2600
            89  O5a O    27.5800  -23.3800
            90  C6a C    30.8700  -24.3600
            91  O6a O    29.6800  -25.0600
            92  O6a O    32.0600  -25.0600
            93  C8y C    32.1300  -20.8600
            94  C8x C    33.3200  -20.1600
            95  C8x C    33.3200  -18.7600
            96  C8y C    32.1300  -18.0600
            97  C8x C    30.8700  -18.7600
            98  C8x C    30.8700  -20.1600
            99  O1a O    32.1300  -16.6600
            100 O6a O     3.9200  -13.6500
            101 O6a O     5.1100  -11.5500
BOND        106
            1     1   2 1
            2     2   3 1
            3     4   3 1 #Down
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   15  14 1 #Up
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   17  23 2
            23   18  24 1
            24   20  25 2
            25   22  26 1
            26   21  27 1 #Down
            27   27  28 1
            28   28   4 1
            29    6  29 2
            30    7  30 1 #Down
            31    9  31 2
            32   10  32 1 #Down
            33   30  33 1
            34   15  34 1
            35   34  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   34  39 2
            40   26  40 2
            41   40  41 1
            42   41  42 2
            43   42  43 1
            44   43  44 2
            45   26  44 1
            46   42  45 1
            47   28  46 2
            48   37  47 2
            49   38  48 1
            50   48  49 1
            51   49  50 1
            52   50  51 1
            53   51  38 1
            54   51  52 1 #Down
            55   52  53 2
            56   52  54 1
            57   54  55 1
            58   55  56 1
            59   55  57 1 #Up
            60   56  58 2
            61   56  59 1
            62   60  59 1 #Up
            63   60  61 1
            64   60  62 1
            65   33  63 1
            66   62  64 1
            67   64  65 1
            68   62  66 2
            69   65  67 1
            70   67  68 1
            71   68  69 1
            72   65  70 1
            73   70  71 1 #Up
            74   70  72 1
            75   24  73 1
            76   73  74 1
            77   69  75 1
            78   75  76 1
            79   63  61 1
            80   67  77 2
            81   36  78 1 #Down
            82   78  79 1
            83   79  80 2
            84   79  81 1
            85   75  82 2
            86   83  76 1
            87   83  84 1
            88   84  74 1
            89   83  85 1
            90   85  86 1
            91   87  86 1 #Up
            92   87  88 1
            93   85  89 2
            94   87  90 1
            95   90  91 1
            96   90  92 2
            97   88  93 1
            98   93  94 1
            99   94  95 2
            100  95  96 1
            101  96  97 2
            102  97  98 1
            103  93  98 2
            104  96  99 1
            105   1 100 1
            106   1 101 2

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