KEGG   DRUG: D07712Help
Entry
D07712            Mixture   Drug                                   

Name
Clemizole penicillin (INN);
Clemizol-penicillin grunenthal (TN)
Formula
C16H17N2O4S. C19H21ClN3
Exact mass
659.2333
Mol weight
660.2253
Structure
Mol fileKCF fileDB searchJmolKegDraw
Component
Benzylpenicillin [DR:D02336], Clemizole
Activity
Antiallergic;
Antibiotic, penicillin, penicillinase-sensitive;
Histamine, H1-receptor antagonist
Remark
Drug group: 
Comment
The target of Penicillin V is penicillin binding protein (PBP).
Target
penicillin binding proteins inhibitor
  Pathway
ko00550  Peptidoglycan biosynthesis  
 
Brite
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Penicillins
     Benzylpenicillin
      D07712  Clemizole penicillin (INN)
BRITE hierarchy
Other DBs
CAS: 
6011-39-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        46
            1   C1y C    27.2300  -16.4500
            2   C5x C    27.2300  -17.9200
            3   N1y N    28.6300  -17.9200
            4   C1y C    28.6300  -16.4500
            5   C1y C    29.9600  -18.3400
            6   C1z C    30.8000  -17.1500
            7   S2x S    29.9600  -16.0300
            8   C1a C    31.7800  -18.2000
            9   C1a C    31.7800  -16.1700
            10  C6a C    30.4500  -19.6700
            11  O6a O    31.8500  -19.6700 #-
            12  O6a O    29.6100  -20.7900
            13  N1b N    26.0400  -15.7500
            14  C5a C    24.8500  -16.4500
            15  O5x O    26.0400  -18.6200
            16  O5a O    24.8500  -17.9200
            17  C1b C    23.5900  -15.8200
            18  C8y C    22.4000  -16.4500
            19  C8x C    21.2100  -15.7500
            20  C8x C    19.9500  -16.4500
            21  C8x C    19.9500  -17.8500
            22  C8x C    21.2100  -18.5500
            23  C8x C    22.4000  -17.8500
            24  C8x C     9.8700  -18.9000
            25  C8x C     9.8700  -20.3000
            26  C8x C    11.0824  -21.0000
            27  C8y C    12.2949  -20.3000
            28  C8y C    12.2949  -18.9000
            29  C8x C    11.0824  -18.2000
            30  N5y N    13.6264  -20.7326 #+
            31  C8y C    14.4493  -19.6000
            32  N4y N    13.6264  -18.4674
            33  C1b C    15.8200  -19.6000
            34  N1y N    16.5200  -18.3876
            35  C1x C    17.9200  -18.4152
            36  C1x C    18.3779  -17.0949
            37  C1x C    17.2637  -16.2514
            38  C1x C    16.1172  -17.0504
            39  C1b C    13.6173  -17.0804
            40  C8y C    12.4251  -16.4020
            41  C8x C    12.4856  -14.9807
            42  C8x C    11.1985  -14.2888
            43  C8y C     9.9908  -14.9969
            44  C8x C    10.0003  -16.4182
            45  C8x C    11.2174  -17.1101
            46  X   Cl    8.7812  -14.3091
BOND        51
            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 2
            18   14  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   24  29 2
            32   27  30 1
            33   30  31 2
            34   31  32 1
            35   28  32 1
            36   31  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   34  38 1
            43   32  39 1
            44   39  40 1
            45   40  41 2
            46   41  42 1
            47   42  43 2
            48   43  44 1
            49   44  45 2
            50   40  45 1
            51   43  46 1

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