KEGG   DRUG: Atilmotin
Entry
D03216                      Drug                                   
Name
Atilmotin (USAN/INN)
Formula
C86H135N20O19
Exact mass
1752.0212
Mol weight
1753.1147
Structure
Efficacy
Prokinetic, Motilin receptor agonist
Comment
Intended for use in the stimulation of gastrointestinal motility
Target
MLNR [HSA:2862] [KO:K05266]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Motilin
    MLNR
     D03216  Atilmotin (USAN/INN)
Other DBs
CAS: 533927-56-9
PubChem: 17397369
LinkDB
KCF data

ATOM        125
            1   C1b C     7.8400   -3.7800
            2   C8y C     9.0300   -4.4800
            3   C1c C     6.5800   -4.4800
            4   C8x C     9.0300   -5.8800
            5   C8x C    10.2900   -6.5800
            6   C8x C    11.4800   -5.8800
            7   C8x C    11.4800   -4.4800
            8   C8x C    10.2900   -3.7800
            9   N1d N     5.3900   -3.7800 #+
            10  C1a C     4.2000   -4.4800
            11  C1a C     5.3900   -2.3100
            12  C1a C     4.2000   -3.0800
            13  C5a C     6.5800   -5.8800
            14  N1b N     5.3900   -6.5800
            15  O5a O     7.8400   -6.5800
            16  C1c C     5.3900   -7.9800
            17  C1c C     4.2000   -8.6800
            18  C1a C     3.0100   -7.9800
            19  C1a C     4.2000  -10.0800
            20  C5a C     6.5800   -8.6800
            21  O5a O     7.8400   -7.9800
            22  N1y N     6.5800  -10.0800
            23  C1x C     5.4600  -10.9200
            24  C1x C     5.8800  -12.2500
            25  C1x C     7.2800  -12.2500
            26  C1y C     7.8400  -10.9200
            27  C5a C     9.0300  -10.2200
            28  N1b N    10.2200  -10.9200
            29  O5a O     9.0300   -8.8200
            30  C1c C    11.4100  -10.2200
            31  C5a C    12.6000  -10.9200
            32  N1b N    13.7900  -10.2200
            33  O5a O    12.6000  -12.3200
            34  C1c C    11.4100   -8.8200
            35  C1a C    10.1500   -8.1900
            36  C1b C    12.6000   -8.0500
            37  C1a C    13.8600   -8.6800
            38  C1c C    14.9800  -10.9200
            39  C5a C    16.2400  -10.2200
            40  C1b C    14.9800  -12.3200
            41  C8y C    16.1700  -13.0200
            42  C8x C    16.1700  -14.4200
            43  C8x C    17.3600  -15.1200
            44  C8x C    18.6200  -14.4200
            45  C8x C    18.6200  -13.0200
            46  C8x C    17.4300  -12.3200
            47  N1b N    17.4300  -10.9900
            48  O5a O    16.2400   -8.8200
            49  C1c C    18.6200  -10.2900
            50  C5a C    19.8100  -10.9900
            51  C1c C    18.6200   -8.8900
            52  C1a C    19.8100   -8.1900
            53  O1a O    17.4300   -8.1900
            54  N1b N    21.0000  -10.2900
            55  O5a O    19.8100  -12.3900
            56  C1c C    22.1900  -10.9900
            57  C1b C    23.4500  -10.2900
            58  C5a C    22.1900  -12.3900
            59  O5a O    21.0000  -13.0900
            60  N1b N    23.3800  -13.0900
            61  C8y C    23.4500   -8.8900
            62  C8x C    24.6400   -8.1900
            63  C8x C    24.6400   -6.7900
            64  C8y C    23.4500   -6.0900
            65  C8x C    22.2600   -6.7900
            66  C8x C    22.2600   -8.1900
            67  O1a O    23.4500   -4.6900
            68  C1b C    24.6400  -12.3900
            69  C5a C    25.8300  -13.1600
            70  N1b N    27.0200  -12.4600
            71  O5a O    25.8300  -14.5600
            72  C1c C    28.2800  -13.1600
            73  C5a C    29.4700  -12.4600
            74  C1b C    28.2100  -14.5600
            75  N1b N    30.6600  -13.1600
            76  O5a O    29.4700  -11.0600
            77  C1c C    31.8500  -12.4600
            78  C5a C    33.0400  -13.1600
            79  C1b C    31.8500  -11.0600
            80  C1c C    33.0400  -10.3600
            81  C1a C    34.2300  -11.0600
            82  C1a C    33.0400   -8.9600
            83  N1b N    34.3000  -12.3900
            84  O5a O    33.0400  -14.5600
            85  C1b C    27.0200  -15.1900
            86  C6a C    27.0200  -16.5900
            87  O6a O    25.7600  -17.2900
            88  O6a O    28.2100  -17.2900
            89  C1c C    35.4900  -13.0900
            90  C5a C    36.6800  -12.3900
            91  C1b C    35.4900  -14.4900
            92  C1b C    36.6800  -15.1900
            93  C5a C    36.6800  -16.5900
            94  N1a N    37.8700  -17.2900
            95  O5a O    35.4900  -17.2900
            96  N1b N    37.8700  -13.0900
            97  O5a O    36.6800  -10.9900
            98  C1c C    39.1300  -12.3900
            99  C5a C    40.3200  -13.1600
            100 C1b C    39.1300  -10.9900
            101 N1b N    41.5100  -12.4600
            102 O5a O    40.3200  -14.5600
            103 C1b C    37.9400  -10.2900
            104 C1b C    37.9400   -8.8900
            105 N1b N    36.7500   -8.1900
            106 C2c C    35.5600   -8.8900
            107 N1a N    34.3000   -8.1900
            108 N2a N    35.5600  -10.2900
            109 C1c C    42.7700  -13.1600
            110 C5a C    43.9600  -12.4600
            111 C1b C    42.7000  -14.5600
            112 C1c C    43.9600  -15.2600
            113 C1a C    45.1500  -14.5600
            114 C1a C    43.9600  -16.6600
            115 N1b N    45.1500  -13.1600
            116 O5a O    43.9600  -11.0600
            117 C1c C    46.3400  -12.4600
            118 C5a C    47.5300  -13.2300
            119 C1b C    46.3400  -11.0600
            120 N1a N    48.7900  -12.5300
            121 O5a O    47.5300  -14.6300
            122 C1b C    45.1500  -10.3600
            123 C1b C    45.1500   -8.9600
            124 C1b C    43.9600   -8.2600
            125 N1a N    42.7700   -8.9600
BOND        128
            1     1   2 1
            2     3   1 1 #Up
            3     2   4 2
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     2   8 1
            9     3   9 1
            10    9  10 1
            11    9  11 1
            12    9  12 1
            13    3  13 1
            14   13  14 1
            15   13  15 2
            16   16  14 1 #Down
            17   16  17 1
            18   17  18 1
            19   17  19 1
            20   16  20 1
            21   20  21 2
            22   20  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   22  26 1
            28   27  28 1
            29   26  27 1 #Down
            30   27  29 2
            31   28  30 1
            32   30  31 1
            33   31  32 1
            34   31  33 2
            35   30  34 1
            36   34  35 1 #Up
            37   34  36 1
            38   36  37 1
            39   32  38 1
            40   38  39 1
            41   38  40 1 #Down
            42   40  41 1
            43   41  42 2
            44   42  43 1
            45   43  44 2
            46   44  45 1
            47   45  46 2
            48   41  46 1
            49   39  47 1
            50   39  48 2
            51   47  49 1
            52   49  50 1
            53   49  51 1
            54   51  52 1
            55   51  53 1 #Down
            56   50  54 1
            57   50  55 2
            58   54  56 1
            59   56  57 1
            60   56  58 1 #Up
            61   58  59 2
            62   58  60 1
            63   57  61 1
            64   61  62 2
            65   62  63 1
            66   63  64 2
            67   64  65 1
            68   65  66 2
            69   61  66 1
            70   64  67 1
            71   60  68 1
            72   68  69 1
            73   69  70 1
            74   69  71 2
            75   70  72 1
            76   72  73 1
            77   72  74 1 #Down
            78   73  75 1
            79   73  76 2
            80   75  77 1
            81   77  78 1
            82   77  79 1 #Up
            83   79  80 1
            84   80  81 1
            85   80  82 1
            86   78  83 1
            87   78  84 2
            88   74  85 1
            89   85  86 1
            90   86  87 1
            91   86  88 2
            92   83  89 1
            93   89  90 1
            94   89  91 1 #Down
            95   91  92 1
            96   92  93 1
            97   93  94 1
            98   93  95 2
            99   90  96 1
            100  90  97 2
            101  96  98 1
            102  98  99 1
            103  98 100 1 #Down
            104  99 101 1
            105  99 102 2
            106 100 103 1
            107 103 104 1
            108 104 105 1
            109 105 106 1
            110 106 107 1
            111 106 108 2
            112 101 109 1
            113 109 110 1
            114 109 111 1 #Down
            115 111 112 1
            116 112 113 1
            117 112 114 1
            118 110 115 1
            119 110 116 2
            120 115 117 1
            121 117 118 1
            122 117 119 1 #Up
            123 118 120 1
            124 118 121 2
            125 119 122 1
            126 122 123 1
            127 123 124 1
            128 124 125 1

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