KEGG   DRUG: Omadacycline tosylate
Entry
D09940                      Drug                                   

Name
Omadacycline tosylate (USAN);
Nuzyra (TN)
Product
Formula
C29H40N4O7. C7H8O3S
Exact mass
728.3091
Mol weight
728.8521
Structure
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: J01AA15
Chemical structure group: DG01198
Product (DG01198): D09940<US>
Efficacy
Antibiotic, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA15 Omadacycline
      D09940  Omadacycline tosylate (USAN) <US>
USP drug classification [BR:br08302]
 Antibacterials
  Tetracyclines
   Omadacycline
    D09940  Omadacycline tosylate (USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09940
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09940
Other DBs
CAS: 1075240-43-5
PubChem: 135626672
ChEMBL: CHEMBL2103854
LigandBox: D09940
LinkDB
KCF data

ATOM        51
            1   C8y C    24.3647  -28.8449
            2   C8x C    24.3647  -27.4447
            3   C8y C    25.5549  -26.7446
            4   C8y C    26.8151  -27.4447
            5   C8y C    26.8151  -28.8449
            6   C8y C    25.5549  -29.5450
            7   C1x C    28.0053  -26.7446
            8   C1y C    29.1955  -27.4447
            9   C2y C    29.1955  -28.8449
            10  C5x C    28.0053  -29.5450
            11  C1x C    30.5257  -26.7446
            12  C1y C    31.7159  -27.4447
            13  C1z C    31.7159  -28.8449
            14  C2y C    30.5257  -29.5450
            15  C1y C    32.9061  -26.7446
            16  C2y C    34.1664  -27.4447
            17  C2y C    34.1664  -28.8449
            18  C5x C    32.9061  -29.5450
            19  C1b C    23.1745  -29.5450
            20  N1b N    21.9843  -28.8449
            21  C1b C    20.7940  -29.5450
            22  C1d C    19.6038  -28.8449
            23  C1a C    18.4136  -29.5450
            24  C1a C    19.6038  -27.4447
            25  C1a C    18.3436  -28.1448
            26  O5x O    28.0053  -30.9453
            27  O1a O    30.5257  -30.9453
            28  O1a O    25.5549  -30.9453
            29  O5x O    32.9061  -30.9453
            30  O1a O    31.7159  -30.2452
            31  N1c N    32.9061  -25.3443
            32  C5a C    35.3566  -29.5450
            33  N1a N    36.5468  -28.8449
            34  O5a O    35.3566  -30.9453
            35  N1c N    25.5549  -25.3443
            36  C1a C    24.3647  -24.6442
            37  C1a C    26.7451  -24.6442
            38  O1a O    35.3566  -26.7446
            39  C1a C    31.7159  -24.6442
            40  C1a C    34.0963  -24.6442
            41  C8x C    39.2772  -27.4447
            42  C8x C    39.2772  -28.8449
            43  C8y C    40.4898  -29.5450
            44  C8x C    41.7026  -28.8449
            45  C8x C    41.7026  -27.4447
            46  C8y C    40.4898  -26.7446
            47  S4a S    40.4898  -25.3443
            48  O1d O    41.8901  -25.3443
            49  O1d O    40.4898  -23.9441
            50  O1d O    39.0896  -25.3443
            51  C1a C    40.4898  -30.9453
BOND        54
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 2
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22    1  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   22  24 1
            28   22  25 1
            29   10  26 2
            30   14  27 1
            31    6  28 1
            32   18  29 2
            33   13  30 1 #Down
            34   15  31 1 #Down
            35   17  32 1
            36   32  33 1
            37   32  34 2
            38    3  35 1
            39   35  36 1
            40   35  37 1
            41   16  38 1
            42   31  39 1
            43   31  40 1
            44   41  42 2
            45   42  43 1
            46   43  44 2
            47   44  45 1
            48   45  46 2
            49   41  46 1
            50   46  47 1
            51   47  48 2
            52   47  49 1
            53   47  50 2
            54   43  51 1

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