KEGG   DRUG: LarazotideHelp
Entry
D09351                      Drug                                   

Name
Larazotide (USAN/INN)
Formula
C32H55N9O10
Exact mass
725.4072
Mol weight
725.8334
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG02225
Efficacy
Anti-inflammatory
Comment
Treatment of inflammatory and autoimmune diseases
Other DBs
CAS: 258818-34-7
PubChem: 96026031
ChEMBL: CHEMBL2105646
LigandBox: D09351
LinkDB All DBs
KCF data Show

ATOM        51
            1   N1a N     7.1400  -17.5000
            2   C1b C     8.3524  -18.2000
            3   C5a C     9.5479  -17.5096
            4   N1b N    10.7353  -18.1951
            5   C1b C    11.9265  -17.5071
            6   O5a O     9.5480  -16.1003
            7   C5a C    13.1160  -18.1938
            8   N1b N    14.3061  -17.5065
            9   O5a O    13.1162  -19.5998
            10  C1c C    15.4962  -18.1935
            11  C5a C    16.6860  -17.5063
            12  C1c C    15.4964  -19.5998
            13  C1a C    16.6891  -20.2883
            14  C1a C    14.2643  -20.3115
            15  N1b N    17.8762  -18.1934
            16  O5a O    16.6860  -16.1002
            17  C1c C    19.0660  -17.5062
            18  C5a C    20.2562  -18.1934
            19  C1b C    19.0660  -16.1002
            20  C1c C    20.2589  -15.4114
            21  C1a C    21.4447  -16.0960
            22  C1a C    20.2591  -14.0003
            23  N1b N    21.4460  -17.5062
            24  O5a O    20.2565  -19.5997
            25  C1c C    22.6362  -18.1934
            26  C5a C    23.8260  -17.5062
            27  C1c C    22.6365  -19.5997
            28  C1a C    23.8291  -20.2883
            29  C1a C    21.4043  -20.3115
            30  N1b N    25.0162  -18.1934
            31  O5a O    23.8260  -16.1002
            32  C1c C    26.2060  -17.5062
            33  C5a C    27.3962  -18.1934
            34  N1y N    28.5860  -17.5062
            35  O5a O    27.3965  -19.5997
            36  C1b C    26.2060  -16.1002
            37  C1b C    27.3989  -15.4114
            38  C5a C    27.3991  -14.0003
            39  N1a N    28.5897  -13.3128
            40  O5a O    26.1649  -13.2874
            41  C1y C    29.6976  -18.3161
            42  C1x C    30.8068  -17.5058
            43  C1x C    30.3791  -16.2005
            44  C1x C    29.0054  -16.2039
            45  C5a C    29.6987  -19.7399
            46  N1b N    30.8976  -20.4309
            47  C1b C    32.0848  -19.7442
            48  C6a C    33.2773  -20.4315
            49  O6a O    34.4650  -19.7445
            50  O6a O    33.2785  -21.8397
            51  O5a O    28.4728  -20.4490
BOND        51
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     3   6 2
            6     5   7 1
            7     7   8 1
            8     7   9 2
            9    10   8 1
            10   10  11 1
            11   10  12 1 #Down
            12   12  13 1
            13   12  14 1
            14   11  15 1
            15   11  16 2
            16   15  17 1
            17   17  18 1
            18   17  19 1 #Up
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   18  23 1
            23   18  24 2
            24   23  25 1
            25   25  26 1
            26   25  27 1 #Down
            27   27  28 1
            28   27  29 1
            29   26  30 1
            30   26  31 2
            31   30  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 2
            35   32  36 1 #Up
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   38  40 2
            40   34  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   34  44 1
            45   41  45 1 #Up
            46   45  46 1
            47   46  47 1
            48   47  48 1
            49   48  49 1
            50   48  50 2
            51   45  51 2

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