KEGG   DRUG: D08886Help
Entry
D08886                      Drug                                   

Name
Ceftobiprole medocaril (USAN)
Formula
C26H25N8O11S2. Na
Exact mass
712.0982
Mol weight
712.6435
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Broad spectrum antibiotic
Remark
ATC code: 
Target
penicillin-binding protein (PBP) 2A inhibitor [KO:K12555]
  Pathway
ko00550  Peptidoglycan biosynthesis  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01D OTHER BETA-LACTAM ANTIBACTERIALS
    J01DI Other cephalosporins and penems
     J01DI01 Ceftobiprole medocaril
      D08886  Ceftobiprole medocaril (USAN)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Cephems - Cephalosporins
     Ceftobiprole medocaril
      D08886  Ceftobiprole medocaril (USAN)
BRITE hierarchy
Other DBs
CAS: 
252188-71-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        48
            1   Z   Na   19.9007  -24.8628 #+
            2   C1y C    15.8900  -20.3000
            3   N1y N    15.8900  -21.7000
            4   C2y C    17.0800  -22.4000
            5   C2y C    18.3400  -21.7000
            6   C1x C    18.3400  -20.3000
            7   S2x S    17.0800  -19.6000
            8   C1y C    14.4900  -20.3000
            9   C5x C    14.4900  -21.7000
            10  N1b N    13.3000  -19.6000
            11  C5a C    12.1100  -20.3000
            12  C2c C    10.9200  -19.6000
            13  O5a O    12.1100  -21.7000
            14  C8y C     9.7300  -20.3000
            15  N2b N    10.9200  -18.2000
            16  O1b O    12.1100  -17.5000
            17  N5x N     8.4000  -19.8800
            18  C8y C     7.5600  -21.0000
            19  S2x S     8.4000  -22.1200
            20  N5x N     9.7300  -21.7000
            21  N1a N     6.1600  -21.0000
            22  O5x O    13.3000  -22.4000
            23  C6a C    17.0800  -23.8000
            24  O6a O    15.8200  -24.5000
            25  O6a O    18.2700  -24.5000 #-
            26  C2b C    19.5300  -22.4000
            27  C2y C    20.7900  -21.7000
            28  C5x C    21.9100  -22.5400
            29  N1y N    23.0300  -21.7000
            30  C1x C    22.6100  -20.3700
            31  C1x C    21.1400  -20.3700
            32  O5x O    21.9100  -23.9400
            33  C1y C    24.2200  -22.4000
            34  C1x C    24.6400  -23.7300
            35  C1x C    26.0400  -23.7300
            36  N1y N    26.4600  -22.4000
            37  C1x C    25.3400  -21.5600
            38  C7a C    27.6500  -21.7000
            39  O7a O    28.8400  -22.4000
            40  O6a O    27.6500  -20.3000
            41  C1b C    30.0300  -21.7000
            42  C8y C    31.2200  -22.4000
            43  C8y C    31.2200  -23.8000
            44  O7x O    32.5500  -24.2200
            45  C8y C    33.3900  -23.1000
            46  O7x O    32.6200  -21.9800
            47  C1a C    30.1000  -24.6400
            48  O6a O    34.7897  -23.1288
BOND        52
            1     2   3 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     2   8 1
            8     8   9 1
            9     3   9 1
            10    8  10 1 #Up
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   12  15 2
            16   15  16 1
            17   14  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   14  20 2
            22   18  21 1
            23    9  22 2
            24    4  23 1
            25   23  24 2
            26   23  25 1
            27    5  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   27  31 1
            34   28  32 2
            35   33  29 1 #Up
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   33  37 1
            41   38  39 1
            42   38  36 1
            43   38  40 2
            44   39  41 1
            45   41  42 1
            46   42  43 2
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   42  46 1
            51   43  47 1
            52   45  48 2

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