KEGG   DRUG: Selamectin
Entry
D05813                      Drug                                   
Name
Selamectin (USAN/INN)
Formula
C43H63NO11
Exact mass
769.4401
Mol weight
769.9604
Structure
Simcomp
Efficacy
Antiparasitic (veterinary)
Comment
Avermectin derivative
veterinary medicine
Brite
Animal drugs in Japan [BR:br08331]
 97  Agents against pathogenic micro-organisms and parasites (except biological products and disinfectants)
  975  Anthelmintics for digestive organs
   9759  Other anthelmintics for digestive organs
    D05813  Selamectin
 99  Agents for not mainly purpose of therapeutic
  993  Insecticides and insect-repellents
   9939  Other insecticides and insect repellents
    D05813  Selamectin
Other DBs
CAS: 165108-07-6
PubChem: 47207474
ChEBI: 177562
LigandBox: D05813
LinkDB
KCF data

ATOM        55
            1   C1z C    22.4700  -13.4400
            2   C1x C    22.4700  -14.8400
            3   O2x O    21.2800  -12.8100
            4   O2x O    23.6600  -14.1400
            5   C1x C    22.4700  -12.1100
            6   C1y C    21.2100  -15.5400
            7   C1y C    20.0200  -13.4400
            8   C1y C    24.8500  -13.5100
            9   C1x C    23.6600  -11.4100
            10  C1x C    20.0200  -14.8400
            11  O7x O    21.2100  -16.9400
            12  C1x C    18.8300  -12.7400
            13  C1y C    24.8500  -12.1100
            14  C1y C    26.0400  -14.1400
            15  C7x C    20.0200  -17.5700
            16  C2x C    17.6400  -13.4400
            17  C1a C    26.0400  -11.4100
            18  C1x C    27.2300  -13.5100
            19  C1x C    26.0400  -15.5400
            20  C1y C    20.0200  -18.9700
            21  C2y C    16.4500  -12.7400
            22  C1z C    18.8300  -19.6000
            23  C2x C    21.2100  -19.6700
            24  C1y C    15.2600  -13.4400
            25  C1a C    16.4500  -11.4100
            26  C1y C    18.8300  -21.0000
            27  C2y C    17.6400  -18.9000
            28  O1a O    18.8300  -18.2000
            29  C2y C    21.2100  -21.0000
            30  O2a O    14.0700  -12.7400
            31  C1y C    15.2600  -14.8400
            32  O2x O    16.4500  -21.0000
            33  C2y C    20.0200  -21.7000
            34  C1x C    16.4500  -19.6000
            35  C2x C    17.6400  -17.5700
            36  C1a C    22.4000  -21.7000
            37  C2x C    16.4500  -15.5400
            38  C1a C    14.0700  -15.5400
            39  C2x C    16.4500  -16.8700
            40  C1x C    27.2300  -16.2400
            41  C1x C    28.4200  -15.5400
            42  C1x C    28.4200  -14.1400
            43  O6a O    21.2100  -18.2700
            44  N2b N    20.0200  -23.0300
            45  O1b O    18.8300  -23.7300
            46  C1y C    12.8800  -13.4400
            47  C1x C    12.8800  -14.7700
            48  O2x O    11.6900  -12.7400
            49  C1y C    11.6900  -15.4700
            50  C1y C    10.4300  -13.4400
            51  C1y C    10.4300  -14.7700
            52  O2a O    11.6900  -16.8700
            53  C1a C    12.8800  -17.5700
            54  C1a C     9.2400  -12.7400
            55  O1a O     9.2400  -15.4700
BOND        61
            1     1   4 1 #Down
            2     1   5 1 #Up
            3     2   6 1
            4     3   7 1
            5     4   8 1
            6     5   9 1
            7     6  10 1
            8     6  11 1 #Up
            9     7  12 1
            10    8  13 1
            11    8  14 1 #Up
            12   11  15 1
            13   12  16 1
            14   13  17 1 #Down
            15   14  18 1
            16   14  19 1
            17   20  15 1
            18   16  21 2
            19   18  42 1
            20   20  22 1
            21   20  23 1
            22   21  24 1
            23   21  25 1
            24   22  26 1
            25   22  27 1
            26   22  28 1 #Down
            27   23  29 2
            28   24  30 1 #Down
            29   24  31 1
            30   26  32 1
            31   26  33 1
            32   27  34 1
            33   27  35 2
            34   29  36 1
            35   31  37 1
            36   31  38 1 #Down
            37   35  39 1
            38    7  10 1
            39    9  13 1
            40   29  33 1
            41   32  34 1
            42   37  39 2
            43   19  40 1
            44    1   2 1
            45   40  41 1
            46    1   3 1
            47   41  42 1
            48   15  43 2
            49   33  44 2
            50   44  45 1
            51   46  47 1
            52   46  48 1
            53   47  49 1
            54   48  50 1
            55   49  51 1
            56   49  52 1 #Down
            57   52  53 1
            58   50  51 1
            59   50  54 1 #Down
            60   51  55 1 #Up
            61   46  30 1 #Up

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