KEGG   DRUG: Sulbenicillin
Entry
D08534                      Drug                                   

Name
Sulbenicillin (INN)
Formula
C16H18N2O7S2
Exact mass
414.0555
Mol weight
414.4533
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01780  Extended spectrum penicillin
Remark
Same as: C11170
ATC code: J01CA16
Chemical structure group: DG00530
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Structure map
map07011  Penicillins
map07012  Cephalosporins - parenteral agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CA Penicillins with extended spectrum
     J01CA16 Sulbenicillin
      D08534  Sulbenicillin (INN)
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    D08534  Sulbenicillin (INN)
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    DG00530  Sulbenicillin
Other DBs
CAS: 34779-28-7
PubChem: 96025219
ChEBI: 9322
ChEMBL: CHEMBL1256734 CHEMBL3306853
LigandBox: D08534
NIKKAJI: J20.454D
LinkDB
KCF data

ATOM        27
            1   C1y C    24.9900  -18.2700
            2   C5x C    24.9900  -19.6700
            3   N1y N    26.3200  -19.6700
            4   C1y C    26.3200  -18.2700
            5   C1y C    27.6500  -20.0900
            6   C1z C    28.4900  -18.9700
            7   S2x S    27.6500  -17.9200
            8   C1a C    29.4700  -19.9500
            9   C1a C    29.4700  -18.0600
            10  C6a C    28.1400  -21.4900
            11  O6a O    29.5400  -21.4900
            12  O6a O    27.3000  -22.6100
            13  N1b N    23.8000  -17.6400
            14  C5a C    22.6100  -18.2700
            15  O5x O    23.8000  -20.3700
            16  O5a O    22.6100  -19.6700
            17  C1c C    21.3500  -17.6400
            18  S4a S    20.1600  -18.3400
            19  C8y C    21.3500  -16.1700
            20  C8x C    22.6100  -15.4700
            21  C8x C    22.5400  -14.0000
            22  C8x C    21.2800  -13.3000
            23  C8x C    20.0900  -14.0700
            24  C8x C    20.0900  -15.4700
            25  O1d O    20.1600  -19.7400
            26  O1d O    20.1600  -16.9400
            27  O1d O    18.7600  -18.3400
BOND        29
            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   17  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   18  25 2
            28   18  26 2
            29   18  27 1

» Japanese version   » Back

KEGG   DRUG: Sulbenicillin sodium
Entry
D01489                      Drug                                   

Name
Sulbenicillin sodium (JP18);
Lilacillin (TN)
Formula
C16H16N2O7S2. 2Na
Exact mass
458.0194
Mol weight
458.417
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penam
 DG01780  Extended spectrum penicillin
Remark
ATC code: J01CA16
Chemical structure group: DG00530
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Structure map
map07011  Penicillins
map07012  Cephalosporins - parenteral agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CA Penicillins with extended spectrum
     J01CA16 Sulbenicillin
      D01489  Sulbenicillin sodium (JP18)
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    D01489  Sulbenicillin sodium (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01489  Sulbenicillin sodium
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    DG00530  Sulbenicillin
Other DBs
CAS: 28002-18-8
PubChem: 7848552
ChEBI: 32160
ChEMBL: CHEMBL3185827 CHEMBL4303686
LigandBox: D01489
NIKKAJI: J21.377B
LinkDB
KCF data

ATOM        29
            1   C1y C    13.8955  -14.5851
            2   C5x C    13.8955  -15.9706
            3   N1y N    15.2810  -15.9706
            4   C1y C    15.2810  -14.5851
            5   C1y C    16.5973  -16.3862
            6   C1z C    17.4284  -15.2779
            7   S2x S    16.5973  -14.1695
            8   C1a C    18.3983  -16.2477
            9   C1a C    18.3983  -14.3080
            10  C6a C    17.0821  -17.7717
            11  O6a O    18.4675  -17.7717 #-
            12  O6a O    16.2508  -18.8802
            13  N1b N    12.7179  -13.8923
            14  C5a C    11.5402  -14.5851
            15  O5x O    12.7179  -16.6634
            16  O5a O    11.5402  -15.9706
            17  C1c C    10.2933  -13.8923
            18  S4a S     9.0814  -14.6189
            19  C8y C    10.2697  -12.4679
            20  C8x C    11.5127  -11.7222
            21  C8x C    11.4890  -10.3005
            22  C8x C    10.2459   -9.6103
            23  C8x C     9.0028  -10.3559
            24  C8x C     9.0266  -11.7777
            25  O1d O     9.0814  -16.0189
            26  O1d O     9.0814  -13.2189
            27  O1d O     7.6814  -14.6189 #-
            28  Z   Na   19.8800  -17.8500 #+
            29  Z   Na    5.6000  -14.6300 #+
BOND        29
            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   17  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   18  25 2
            28   18  26 2
            29   18  27 1

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