KEGG   DRUG: D05494Help
Entry
D05494                      Drug                                   

Name
Pirbenicillin sodium (USAN)
Formula
C24H25N6O5S. Na
Exact mass
532.1505
Mol weight
532.5473
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial
Comment
Semisynthetic penicillin
Target
penicillin binding proteins inhibitor
  Pathway
ko00550  Peptidoglycan biosynthesis  
 
Brite
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Penicillins
     Pirbenicillin
      D05494  Pirbenicillin sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 
55162-26-0
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C1y C    29.1128  -20.3774
            2   C5x C    29.1128  -21.7800
            3   N1y N    30.5155  -21.7800
            4   C1y C    30.5155  -20.3774
            5   C1y C    31.8496  -22.2136
            6   C1z C    32.6738  -21.0788
            7   S2x S    31.8496  -19.9438
            8   C1a C    33.6657  -22.0706
            9   C1a C    33.6657  -20.0869
            10  C6a C    32.2792  -23.5358
            11  O6a O    33.6817  -23.5358 #-
            12  O6a O    31.4520  -24.6741
            13  N1b N    27.9009  -19.6778
            14  C5a C    26.6889  -20.3774
            15  O5x O    27.9009  -22.4797
            16  C1c C    25.4604  -19.6681
            17  N1b N    24.2625  -20.3598
            18  O5a O    26.6888  -21.7703
            19  C5a C    23.0773  -19.6755
            20  C1b C    21.8856  -20.3635
            21  C8y C    25.4604  -18.2721
            22  C8x C    26.6876  -17.5636
            23  C8x C    26.6875  -16.1641
            24  C8x C    25.4755  -15.4646
            25  C8x C    24.2484  -16.1732
            26  C8x C    24.2485  -17.5726
            27  N1b N    20.6971  -19.6774
            28  C2c C    19.4852  -20.3770
            29  N2a N    19.4852  -21.7763
            30  O5a O    23.0771  -18.2632
            31  C8y C    18.2442  -19.6605
            32  C8x C    18.2442  -18.2633
            33  C8x C    17.0330  -17.5639
            34  N5x N    15.8218  -18.2631
            35  C8x C    15.8217  -19.6604
            36  C8x C    17.0329  -20.3597
            37  Z   Na   35.2574  -23.5769 #+
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 1
            18   16  17 1
            19   14  18 2
            20   17  19 1
            21   19  20 1
            22   16  21 1 #Down
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   21  26 1
            29   20  27 1
            30   27  28 1
            31   28  29 2
            32   19  30 2
            33   28  31 1
            34   31  32 2
            35   32  33 1
            36   33  34 2
            37   34  35 1
            38   35  36 2
            39   31  36 1

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