KEGG   DRUG: D08360Help
Entry
D08360                      Drug                                   

Name
Phenoxymethylpenicillin calcium;
Calcipen (TN)
Formula
(C16H17N2O5S)2. 4H2O. Ca
Exact mass
810.1765
Mol weight
810.9023
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibiotic, penicillin, penicillinase-sensitive
Remark
ATC code: 
Drug group: 
Target
penicillin binding proteins inhibitor
  Pathway
ko00550  Peptidoglycan biosynthesis  
 
Interaction
Drug interaction
Structure map
Penicillins
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
     J01CE02 Phenoxymethylpenicillin
      D08360  Phenoxymethylpenicillin calcium
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Penicillins
     Phenoxymethylpenicillin
      D08360  Phenoxymethylpenicillin calcium
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        53
            1   C1y C    20.4400  -17.2200
            2   C5x C    20.4400  -18.6200
            3   N1y N    21.8400  -18.6200
            4   C1y C    21.8400  -17.2200
            5   C1y C    23.1700  -19.0400
            6   C1z C    24.0100  -17.9200
            7   S2x S    23.1700  -16.8000
            8   C1a C    24.9900  -18.9000
            9   C1a C    24.9900  -16.9400
            10  C6a C    23.6600  -20.3700
            11  O6a O    25.0600  -20.3700 #-
            12  O6a O    22.8200  -21.4900
            13  N1b N    19.2500  -16.5200
            14  C5a C    18.0600  -17.2200
            15  O5x O    19.2500  -19.3200
            16  O5a O    18.0600  -18.6200
            17  C1b C    16.8700  -16.5200
            18  O2a O    15.6800  -17.2200
            19  C8y C    14.4200  -16.5200
            20  C8x C    14.4200  -15.1200
            21  C8x C    13.2300  -14.4200
            22  C8x C    12.0400  -15.1200
            23  C8x C    12.0400  -16.5200
            24  C8x C    13.2300  -17.2200
            25  Z   Ca   29.4700  -18.9700 #2+
            26  O0  O    32.2000  -16.0300
            27  C1y C    20.4400  -17.2200
            28  C5x C    20.4400  -18.6200
            29  N1y N    21.8400  -18.6200
            30  C1y C    21.8400  -17.2200
            31  S2x S    23.1700  -16.8000
            32  C1z C    24.0100  -17.9200
            33  C1y C    23.1700  -19.0400
            34  C6a C    23.6600  -20.3700
            35  O6a O    25.0600  -20.3700 #-
            36  O6a O    22.8200  -21.4900
            37  C1a C    24.9900  -18.9000
            38  C1a C    24.9900  -16.9400
            39  O5x O    19.2500  -19.3200
            40  N1b N    19.2500  -16.5200
            41  C5a C    18.0600  -17.2200
            42  O5a O    18.0600  -18.6200
            43  C1b C    16.8700  -16.5200
            44  O2a O    15.6800  -17.2200
            45  C8y C    14.4200  -16.5200
            46  C8x C    14.4200  -15.1200
            47  C8x C    13.2300  -14.4200
            48  C8x C    12.0400  -15.1200
            49  C8x C    12.0400  -16.5200
            50  C8x C    13.2300  -17.2200
            51  O0  O    32.2000  -16.0300
            52  O0  O    32.2000  -16.0300
            53  O0  O    32.2000  -16.0300
BOND        52
            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 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   27  30 1
            31   29  33 1
            32   33  32 1
            33   32  31 1
            34   30  31 1
            35   32  37 1
            36   32  38 1
            37   33  34 1 #Down
            38   34  35 1
            39   34  36 2
            40   27  40 1 #Up
            41   40  41 1
            42   28  39 2
            43   41  42 2
            44   41  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 2
            48   46  47 1
            49   47  48 2
            50   48  49 1
            51   49  50 2
            52   45  50 1
BRACKET     1    11.5500  -22.1200   11.5500  -14.0000
            1    26.9500  -14.0000   26.9500  -22.1200
            1  2
 ORIGINAL  1    1   2   3   4   7   6   5  10  11  12   8   9  13  16  14  15
            1   17  18  19  20  21  22  23  24  25
 REPEAT    1   28  29  30  31  32  33  34  35  36  37  38  39  40  41  42  43
            1   44  45  46  47  48  49  50  51  52
            2    30.0300  -16.8000   30.0300  -15.1200
            2    33.0400  -15.1200   33.0400  -16.8000
            2  4
 ORIGINAL  2   27
 REPEAT    2   53  54  55

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