KEGG   DRUG: Clemizole penicillinHelp
Entry
D07712                      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
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01778  beta-Lactamase sensitive penicillin
Remark
ATC code: J01CE01 S01AA14
Chemical structure group: DG00534
Product (DG00534): D01053<JP/US> D02157<JP/US> D02461<US> D05408<US>
Efficacy
Antibacterial
Target
penicillin binding protein
  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
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CE Beta-lactamase sensitive penicillins
     J01CE01 Benzylpenicillin
      D07712  Clemizole penicillin (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA14 Benzylpenicillin
      D07712  Clemizole penicillin (INN)
USP drug classification [BR:br08302]
 Antibacterials
  Beta-lactam, Penicillins
   Penicillin G
    D07712  Clemizole penicillin (INN)
BRITE hierarchy
Other DBs
CAS: 6011-39-8
PubChem: 51092008
ChEBI: 52139
LigandBox: D07712
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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