KEGG   DRUG: Polymyxin B
Entry
D08401                      Drug                                   
Name
Polymyxin B (INN);
Polysporin (TN)
Formula
C55H95N16O13R
Structure
Simcomp
Source
Paenibacillus polymyxa [TAX:1406]
Class
Antibacterial
 DG01579  Polypeptide antibiotic
Remark
Same as: C11612
ATC code: A07AA05 J01XB02 S01AA18 S02AA11 S03AA03
Chemical structure group: DG00083
Product (DG00083): D01066<JP/US>
Product (mixture): D11086<US>
Efficacy
Antibacterial, Cell membrane function inhibitor
Comment
R: See Polymyxin B [CPD:C11612]
Target
Lipopolysaccharide
Interaction
Other map
map01501  beta-Lactam resistance
map01503  Cationic antimicrobial peptide (CAMP) resistance
map02020  Two-component system
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07A INTESTINAL ANTIINFECTIVES
    A07AA Antibiotics
     A07AA05 Polymyxin B
      D08401  Polymyxin B (INN)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XB Polymyxins
     J01XB02 Polymyxin B
      D08401  Polymyxin B (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA18 Polymyxin B
      D08401  Polymyxin B (INN)
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA11 Polymyxin B
      D08401  Polymyxin B (INN)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA03 Polymyxin B
      D08401  Polymyxin B (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Polymyxin B
    D08401  Polymyxin B (INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01579  Polypeptide antibiotic
   DG00083  Polymyxin B
    D08401  Polymyxin B
Antimicrobials [BR:br08307]
 Antibacterials
  Cell membrane function inhibitor
   Polypeptide
    D08401  Polymyxin B (INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01579  Polypeptide antibiotic
   DG00083  Polymyxin B
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell membrane function inhibitor
   Polypeptide
    DG00083  Polymyxin B
Other DBs
CAS: 1404-26-8
PubChem: 96025087
ChEBI: 59063
NIKKAJI: J301.776A
KCF data

ATOM        85
            1   N1b N    31.7100  -21.6300
            2   C1c C    30.5900  -15.5400
            3   C5a C    31.7800  -14.8400
            4   O5a O    31.7100  -13.5100
            5   N1b N    29.4000  -14.8400
            6   C1c C    37.5200  -21.0700
            7   N1b N    35.2100  -21.0700
            8   C1c C    34.0200  -21.7000
            9   C5a C    32.8300  -21.0700
            10  O5a O    32.8300  -19.9500
            11  C5a C    36.3300  -21.7000
            12  O5a O    36.3300  -23.1000
            13  N1b N    37.5200  -19.7400
            14  C5a C    38.6400  -19.0400
            15  O5a O    39.8300  -19.6700
            16  C1c C    38.6400  -15.7500
            17  N1b N    32.9000  -15.4700
            18  C1c C    34.0900  -14.8400
            19  C5a C    35.2100  -15.4700
            20  O5a O    35.2100  -16.8000
            21  N1b N    36.4000  -14.8400
            22  C1b C    39.7600  -15.0500
            23  C1c C    40.9500  -15.6100
            24  C1a C    42.0700  -14.8400
            25  C1a C    40.9500  -16.9400
            26  C1b C    34.0900  -13.4400
            27  C8y C    35.2100  -12.8100
            28  C8x C    36.4000  -13.4400
            29  C8x C    37.5900  -12.8100
            30  C8x C    37.5900  -11.4800
            31  C8x C    36.4000  -10.7800
            32  C8x C    35.2100  -11.4800
            33  C1b C    38.7100  -21.7000
            34  C1b C    38.7100  -23.1000
            35  N1a N    39.8300  -23.7300
            36  C1b C    34.0200  -23.1000
            37  C1b C    32.8300  -23.7300
            38  N1a N    32.8300  -25.0600
            39  C1b C    30.5900  -16.8700
            40  C1b C    31.7800  -17.5000
            41  N1a N    32.9700  -16.9400
            42  C1c C    30.5900  -20.9300
            43  C1c C    30.5200  -19.5300
            44  C5a C    29.4000  -21.5600
            45  N1b N    28.2100  -20.8600
            46  O5a O    29.4000  -22.8900
            47  C1b C    28.2800  -19.5300
            48  C1a C    31.7100  -18.9000
            49  O1a O    29.4000  -18.8300
            50  C1b C    27.1600  -18.7600
            51  C5a C    27.8600  -14.8400
            52  O5a O    27.3000  -13.6500
            53  C1c C    27.2300  -16.0300
            54  N1b N    25.9700  -15.3300
            55  C5a C    24.8500  -16.0300
            56  C1c C    23.6600  -15.3300
            57  O5a O    24.8500  -17.3600
            58  N1b N    22.5400  -16.0300
            59  C5a C    21.3500  -15.3300
            60  C1b C    23.6600  -14.0000
            61  C1b C    24.8500  -13.3700
            62  N1a N    24.8500  -11.9700
            63  O5a O    21.3500  -14.0000
            64  C1c C    20.1600  -16.0300
            65  N1b N    19.0400  -15.3300
            66  C1c C    20.1600  -17.7100
            67  O1a O    21.3500  -18.4100
            68  C1a C    19.0400  -18.4100
            69  C5a C    17.8500  -16.0300
            70  C1c C    16.6600  -15.3300
            71  O5a O    17.8500  -17.3600
            72  N1b N    15.5400  -16.0300
            73  C5a C    14.3500  -15.3300
            74  C1b C    13.2300  -16.0300
            75  C1b C    16.6600  -14.0000
            76  C1b C    17.8500  -13.3000
            77  N1a N    17.8500  -11.9700
            78  O5a O    14.3500  -14.0000
            79  C1b C    12.0400  -15.3300
            80  C1b C    10.8500  -16.0300
            81  C1b C     9.7300  -15.3300
            82  C1c C     8.5400  -16.0300
            83  C1b C     7.3500  -15.3300
            84  C1a C     8.5400  -17.3600
            85  R   R     6.2300  -16.0300
BOND        86
            1     2   5 1
            2    42  43 1 #Down
            3    22  23 1
            4    42  44 1
            5     6  13 1
            6    44  45 1
            7    23  24 1
            8    44  46 2
            9     3   4 2
            10   45  47 1
            11   23  25 1
            12   43  48 1
            13   43  49 1 #Down
            14   13  14 1
            15   18  26 1 #Down
            16   47  50 1
            17   53  50 1 #Down
            18    7   8 1
            19    5  51 1
            20   26  27 1
            21   51  52 2
            22   14  15 2
            23   51  53 1
            24    8   9 1
            25   53  54 1
            26    9  10 2
            27   54  55 1
            28    3   2 1
            29   55  56 1
            30    7  11 1
            31   55  57 2
            32   27  28 2
            33   56  58 1
            34   28  29 1
            35   58  59 1
            36   29  30 2
            37   56  60 1 #Up
            38   30  31 1
            39   60  61 1
            40   31  32 2
            41   61  62 1
            42   32  27 1
            43   59  63 2
            44   59  64 1
            45    6  33 1 #Up
            46   64  65 1
            47   11  12 2
            48   64  66 1 #Down
            49   33  34 1
            50   66  67 1 #Down
            51   18  19 1
            52   66  68 1
            53   34  35 1
            54   65  69 1
            55   19  20 2
            56   69  70 1
            57    8  36 1 #Up
            58   69  71 2
            59   19  21 1
            60   70  72 1
            61   36  37 1
            62   72  73 1
            63   17  18 1
            64   73  74 1
            65   37  38 1
            66   70  75 1 #Up
            67   17   3 1
            68   75  76 1
            69    1   9 1
            70   76  77 1
            71   21  16 1
            72   73  78 2
            73    2  39 1 #Down
            74   74  79 1
            75   14  16 1
            76   79  80 1
            77   39  40 1
            78   80  81 1
            79   11   6 1
            80   81  82 1
            81   40  41 1
            82   82  83 1
            83   16  22 1 #Up
            84   82  84 1
            85    1  42 1
            86   83  85 1

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Ontology (4)   
   KEGG BRITE (4)   
Pathway (3)   
   KEGG PATHWAY (3)   
Drug (2)   
   KEGG DGROUP (1)   
   SIDER (1)   
Chemical substance (4)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (13)   

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