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)
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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