KEGG   DRUG: Propicillin
Entry
D08438                      Drug                                   

Name
Propicillin (BAN)
Formula
C18H22N2O5S
Exact mass
378.1249
Mol weight
378.4427
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01778  beta-Lactamase sensitive penicillin
Remark
ATC code: J01CE03
Chemical structure group: DG00536
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Structure map
map07011  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
     J01CE03 Propicillin
      D08438  Propicillin (BAN)
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   beta-Lactamase sensitive penicillin
    D08438  Propicillin (BAN)
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   beta-Lactamase sensitive penicillin
    DG00536  Propicillin
Other DBs
CAS: 551-27-9
PubChem: 96025124
ChEMBL: CHEMBL2105612
LigandBox: D08438
NIKKAJI: J188.400J
LinkDB
KCF data

ATOM        26
            1   C1y C    26.1100  -17.1500
            2   C5x C    26.1100  -18.5500
            3   N1y N    27.5100  -18.5500
            4   C1y C    27.5100  -17.1500
            5   C1y C    28.8400  -18.9700
            6   C1z C    29.6800  -17.8500
            7   S2x S    28.8400  -16.7300
            8   C1a C    30.6600  -18.8300
            9   C1a C    30.6600  -16.8700
            10  C6a C    29.3300  -20.3000
            11  O6a O    30.7300  -20.3000
            12  O6a O    28.4900  -21.4900
            13  N1b N    24.8500  -16.4500
            14  C5a C    23.6600  -17.1500
            15  O5x O    24.8500  -19.2500
            16  O5a O    23.6600  -18.5500
            17  C1c C    22.4700  -16.4500
            18  O2a O    21.2800  -17.1500
            19  C8y C    20.0900  -16.4500
            20  C1b C    22.4700  -15.1200
            21  C8x C    20.0900  -15.0500
            22  C8x C    18.8300  -14.3500
            23  C8x C    17.6400  -15.0500
            24  C8x C    17.6400  -16.4500
            25  C8x C    18.8300  -17.1500
            26  C1a C    23.6600  -14.4200
BOND        28
            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   17  20 1
            22   19  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   19  25 1
            28   20  26 1

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KEGG   DRUG: Propicillin potassium
Entry
D01649                      Drug                                   

Name
Propicillin potassium (JAN)
Formula
C18H21N2O5S. K
Exact mass
416.0808
Mol weight
416.533
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01778  beta-Lactamase sensitive penicillin
Remark
Same as: C13110
ATC code: J01CE03
Chemical structure group: DG00536
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Structure map
map07011  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
     J01CE03 Propicillin
      D01649  Propicillin potassium (JAN)
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   beta-Lactamase sensitive penicillin
    D01649  Propicillin potassium (JAN)
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   beta-Lactamase sensitive penicillin
    DG00536  Propicillin
Other DBs
CAS: 1245-44-9
PubChem: 7848712
ChEBI: 32062
LigandBox: D01649
NIKKAJI: J8.776I
LinkDB
KCF data

ATOM        27
            1   C1y C    28.2474  -15.2160
            2   C5x C    28.2474  -16.6202
            3   N1y N    29.6517  -16.6202
            4   C1y C    29.6517  -15.2160
            5   C1y C    30.9856  -17.0414
            6   C1z C    31.8280  -15.9180
            7   S2x S    30.9856  -14.7946
            8   C1a C    32.8111  -16.9009
            9   C1a C    32.8111  -14.9350
            10  C6a C    31.4771  -18.3753
            11  O6a O    32.8811  -18.3753 #-
            12  O6a O    30.6344  -19.4986
            13  N1b N    27.0539  -14.5138
            14  C5a C    25.8603  -15.2160
            15  O5x O    27.0539  -17.3222
            16  O5a O    25.8603  -16.6202
            17  C1c C    24.6414  -14.5187
            18  O2a O    23.4495  -15.2137
            19  C8y C    22.2365  -14.5133
            20  C1b C    24.6354  -13.1543
            21  C8x C    22.2362  -13.0845
            22  C8x C    21.0242  -12.3850
            23  C8x C    19.8125  -13.0849
            24  C8x C    19.8127  -14.5138
            25  C8x C    21.0247  -15.2132
            26  C1a C    25.8457  -12.4484
            27  Z   K    34.3547  -18.4020 #+
BOND        28
            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   17  20 1
            22   19  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   19  25 1
            28   20  26 1

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