KEGG   DRUG: Tilmicosin
Entry
D02492                      Drug                                   
Name
Tilmicosin (USP/INN);
TMS;
Micotil (TN)
Formula
C46H80N2O13
Exact mass
868.566
Mol weight
869.133
Structure
Simcomp
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01876  16-Membered ring macrolide antibiotic
Remark
Chemical structure group: DG01435
Efficacy
Antibacterial (veterinary), Protein biosynthesis inhibitor
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07020  Macrolides and ketolides
Brite
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01876  16-Membered ring macrolide antibiotic
    DG01435  Tilmicosin
     D02492  Tilmicosin
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D02492  Tilmicosin (USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01876  16-Membered ring macrolide antibiotic
    DG01435  Tilmicosin
Other DBs
CAS: 108050-54-0
PubChem: 7849536
LigandBox: D02492
NIKKAJI: J410.842F
LinkDB
KCF data

ATOM        61
            1   C2x C    20.5100  -12.1100
            2   C2x C    20.5100  -13.4400
            3   C2y C    19.3200  -14.0700
            4   C1x C    22.7500  -13.4400
            5   C1a C    21.6300  -15.4000
            6   C1x C    21.6300  -17.9900
            7   C1y C    22.7500  -17.2900
            8   C1y C    22.7500  -16.0300
            9   O6a O    20.5100  -16.0300
            10  C2x C    19.3200  -15.4000
            11  C1y C    18.2700  -16.0300
            12  C1y C    18.2700  -17.3600
            13  O7x O    19.3900  -17.9900
            14  C7x C    20.5100  -17.3600
            15  C1y C    23.8700  -14.0700
            16  C1y C    23.8700  -15.4000
            17  C1b C    24.9900  -13.4400
            18  C1b C    26.1100  -14.1400
            19  C5x C    21.6300  -11.4800
            20  C1y C    22.7500  -12.1800
            21  O5x O    21.6300  -10.2200
            22  C1b C    17.1500  -17.9900
            23  O1a O    23.8700  -17.9900
            24  C1y C    22.7500  -20.0900
            25  C1y C    22.7500  -21.3500
            26  C1y C    23.9400  -21.9800
            27  C1y C    25.0600  -21.3500
            28  C1y C    25.0600  -20.0900
            29  O2x O    23.9400  -19.3900
            30  O1a O    26.1800  -21.9800
            31  N1c N    23.9400  -23.3100
            32  C1a C    22.8200  -23.9400
            33  C1a C    25.0600  -23.9400
            34  C1a C    21.6300  -19.3900
            35  O1a O    21.6300  -21.9800
            36  O2a O    27.0900  -18.0600
            37  C1a C    23.8700  -11.4800
            38  C1a C    17.1500  -19.3200
            39  C1b C    17.0800  -15.4000
            40  O2a O    15.9600  -16.0300
            41  C1y C    14.8400  -15.4000
            42  C1y C    14.8400  -14.1400
            43  C1y C    13.7200  -13.4400
            44  C1y C    12.6000  -14.1400
            45  C1y C    12.6000  -15.4000
            46  O2x O    13.7200  -16.0300
            47  C1a C    11.4800  -16.1000
            48  O1a O    11.4800  -13.4400
            49  O2a O    13.7200  -12.1800
            50  C1a C    12.6000  -11.5500
            51  O2a O    15.9600  -13.4400
            52  C1a C    15.9600  -12.1800
            53  C1a C    18.2000  -13.4400
            54  N1y N    27.2300  -13.4400
            55  C1x C    28.3500  -14.1400
            56  C1y C    29.4700  -13.5100
            57  C1x C    29.4700  -12.1800
            58  C1y C    28.3500  -11.5500
            59  C1x C    27.2300  -12.1800
            60  C1a C    30.5900  -14.1400
            61  C1a C    28.3500  -10.2200
BOND        64
            1    14   9 2
            2    26  31 1 #Up
            3     1   2 2
            4    31  32 1
            5     2   3 1
            6    31  33 1
            7    14   6 1
            8    24  34 1 #Up
            9    15  16 1
            10   25  35 1 #Down
            11   18  17 1
            12   28  36 1 #Up
            13   16  36 1 #Down
            14   15  17 1 #Down
            15   20  37 1 #Down
            16    6   7 1
            17   22  38 1
            18    7   8 1
            19   11  39 1 #Up
            20    8   5 1 #Down
            21   39  40 1
            22    3  10 2
            23   41  40 1 #Down
            24   19  20 1
            25   19  21 2
            26    4  20 1
            27   12  22 1 #Down
            28    8  16 1
            29   41  42 1
            30   42  43 1
            31   43  44 1
            32   44  45 1
            33   45  46 1
            34   46  41 1
            35    7  23 1 #Down
            36   45  47 1 #Down
            37   15   4 1
            38   44  48 1 #Up
            39   19   1 1
            40   43  49 1 #Up
            41   49  50 1
            42   10  11 1
            43   42  51 1 #Up
            44   11  12 1
            45   51  52 1
            46   12  13 1
            47    3  53 1
            48   24  25 1
            49   18  54 1
            50   25  26 1
            51   26  27 1
            52   27  28 1
            53   28  29 1
            54   29  24 1
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   57  58 1
            59   58  59 1
            60   59  54 1
            61   13  14 1
            62   56  60 1 #Down
            63   27  30 1 #Down
            64   58  61 1 #Down

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KEGG   DRUG: Tilmicosin phosphate
Entry
D02493                      Drug                                   
Name
Tilmicosin phosphate (USAN);
TP
Formula
C46H80N2O13. H3PO4
Exact mass
966.5429
Mol weight
967.1282
Structure
Simcomp
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01876  16-Membered ring macrolide antibiotic
Remark
Chemical structure group: DG01435
Efficacy
Antibacterial (veterinary), Protein biosynthesis inhibitor
Target
50S ribosomal subunit
Interaction
Structure map
map07020  Macrolides and ketolides
Brite
Animal drugs in Japan [BR:br08331]
 97  Agents against pathogenic micro-organisms and parasites (except biological products and disinfectants)
  976  Antibiotic preparations
   9762  Antibiotic preparations for peroral and feed additive use
    D02493  Tilmicosin phosphate
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01876  16-Membered ring macrolide antibiotic
    DG01435  Tilmicosin
     D02493  Tilmicosin phosphate
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D02493  Tilmicosin phosphate (USAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01876  16-Membered ring macrolide antibiotic
    DG01435  Tilmicosin
Other DBs
CAS: 137330-13-3
PubChem: 7849537
LigandBox: D02493
LinkDB
KCF data

ATOM        66
            1   O1c O    21.9800  -17.0100
            2   P1b P    23.3800  -17.0100
            3   O1c O    24.7800  -17.0100
            4   O1c O    23.3800  -18.4100
            5   O1c O    23.3800  -15.6100
            6   C2x C    12.7400  -10.6400
            7   C2x C    12.7400  -11.9700
            8   C2y C    11.5500  -12.6000
            9   C1x C    14.9800  -11.9700
            10  C1a C    13.8600  -13.9300
            11  C1x C    13.8600  -16.5200
            12  C1y C    14.9800  -15.8200
            13  C1y C    14.9800  -14.5600
            14  O6a O    12.7400  -14.5600
            15  C2x C    11.5500  -13.9300
            16  C1y C    10.5000  -14.5600
            17  C1y C    10.5000  -15.8900
            18  O7x O    11.6200  -16.5200
            19  C7x C    12.7400  -15.8900
            20  C1y C    16.1000  -12.6000
            21  C1y C    16.1000  -13.9300
            22  C1b C    17.2200  -11.9700
            23  C1b C    18.3400  -12.6700
            24  C5x C    13.8600  -10.0100
            25  C1y C    14.9800  -10.7100
            26  O5x O    13.8600   -8.7500
            27  C1b C     9.3800  -16.5200
            28  O1a O    16.1000  -16.5200
            29  C1y C    14.9800  -18.6200
            30  C1y C    14.9800  -19.8800
            31  C1y C    16.1700  -20.5100
            32  C1y C    17.2900  -19.8800
            33  C1y C    17.2900  -18.6200
            34  O2x O    16.1700  -17.9200
            35  O1a O    18.4100  -20.5100
            36  N1c N    16.1700  -21.8400
            37  C1a C    15.0500  -22.4700
            38  C1a C    17.2900  -22.4700
            39  C1a C    13.8600  -17.9200
            40  O1a O    13.8600  -20.5100
            41  O2a O    19.3200  -16.5900
            42  C1a C    16.1000  -10.0100
            43  C1a C     9.3800  -17.8500
            44  C1b C     9.3100  -13.9300
            45  O2a O     8.1900  -14.5600
            46  C1y C     7.0700  -13.9300
            47  C1y C     7.0700  -12.6700
            48  C1y C     5.9500  -11.9700
            49  C1y C     4.8300  -12.6700
            50  C1y C     4.8300  -13.9300
            51  O2x O     5.9500  -14.5600
            52  C1a C     3.7100  -14.6300
            53  O1a O     3.7100  -11.9700
            54  O2a O     5.9500  -10.7100
            55  C1a C     4.8300  -10.0800
            56  O2a O     8.1900  -11.9700
            57  C1a C     8.1900  -10.7100
            58  C1a C    10.4300  -11.9700
            59  N1y N    19.4600  -11.9700
            60  C1x C    20.5800  -12.6700
            61  C1y C    21.7000  -12.0400
            62  C1x C    21.7000  -10.7100
            63  C1y C    20.5800  -10.0800
            64  C1x C    19.4600  -10.7100
            65  C1a C    22.8200  -12.6700
            66  C1a C    20.5800   -8.7500
BOND        68
            1     1   2 1
            2     2   3 1
            3     2   4 1
            4     2   5 2
            5    19  14 2
            6    31  36 1 #Up
            7     6   7 2
            8    36  37 1
            9     7   8 1
            10   36  38 1
            11   19  11 1
            12   29  39 1 #Up
            13   20  21 1
            14   30  40 1 #Down
            15   23  22 1
            16   33  41 1 #Up
            17   21  41 1 #Down
            18   20  22 1 #Down
            19   25  42 1 #Down
            20   11  12 1
            21   27  43 1
            22   12  13 1
            23   16  44 1 #Up
            24   13  10 1 #Down
            25   44  45 1
            26    8  15 2
            27   46  45 1 #Down
            28   24  25 1
            29   24  26 2
            30    9  25 1
            31   17  27 1 #Down
            32   13  21 1
            33   46  47 1
            34   47  48 1
            35   48  49 1
            36   49  50 1
            37   50  51 1
            38   51  46 1
            39   12  28 1 #Down
            40   50  52 1 #Down
            41   20   9 1
            42   49  53 1 #Up
            43   24   6 1
            44   48  54 1 #Up
            45   54  55 1
            46   15  16 1
            47   47  56 1 #Up
            48   16  17 1
            49   56  57 1
            50   17  18 1
            51    8  58 1
            52   29  30 1
            53   23  59 1
            54   30  31 1
            55   31  32 1
            56   32  33 1
            57   33  34 1
            58   34  29 1
            59   59  60 1
            60   60  61 1
            61   61  62 1
            62   62  63 1
            63   63  64 1
            64   64  59 1
            65   18  19 1
            66   61  65 1 #Down
            67   32  35 1 #Down
            68   63  66 1 #Down

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