KEGG   DRUG: Polymyxin B sulfate
Entry
D01066                      Drug                                   

Name
Polymyxin B sulfate (USP/INN);
Polymixin B sulfate (JP17);
Aerosporin (TN)
Product
  Generic
Formula
C55H95N16O13R. xH2SO4
Structure
Simcomp
Class
Antibacterial
 DG01579  Polypeptide antibiotic
Remark
Same as: C11613
Therapeutic category: 2634 6126
ATC code: A07AA05 J01XB02 S01AA18 S02AA11 S03AA03
Chemical structure group: DG00083
Product (DG00083): D01066<JP/US>
Product (mixture): D02144<JP> D02531<US> D11086<US> D11096<US> D11097<US> D11177<US> D11855<US>
Efficacy
Antibacterial, Cell membrane function inhibitor
Comment
Polymyxin B1 ( R = -CH3)
Polymyxin B2 ( R = -H)
Plypeptide
Target
Lipopolysaccharide
Interaction
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
      D01066  Polymyxin B sulfate (USP/INN) <JP/US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XB Polymyxins
     J01XB02 Polymyxin B
      D01066  Polymyxin B sulfate (USP/INN) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA18 Polymyxin B
      D01066  Polymyxin B sulfate (USP/INN) <JP/US>
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA11 Polymyxin B
      D01066  Polymyxin B sulfate (USP/INN) <JP/US>
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA03 Polymyxin B
      D01066  Polymyxin B sulfate (USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Polymyxin B
    D01066  Polymyxin B sulfate (USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   263  Suppurative dermatosis agents
    2634  Antibiotics for external use
     D01066  Polymyxin B sulfate (USP/INN); Polymixin B sulfate (JP17)
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   612  Acting mainly on gram-negative bacteria
    6126  Polymyxin B
     D01066  Polymyxin B sulfate (USP/INN); Polymixin B sulfate (JP17)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Polymyxin B
    D01066  Polymyxin B sulfate (USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01066  Polymixin B sulfate
Other DBs
CAS: 1405-20-5
PubChem: 7848129
ChEBI: 8310
DrugBank: DB00781
NIKKAJI: J310.926G
KCF data

ATOM        90
            1   N1b N    39.6227  -19.8397
            2   C1c C    38.5126  -14.2311
            3   C5a C    39.6727  -13.5535
            4   O5a O    39.6649  -12.2063
            5   N1b N    37.3408  -13.5596
            6   C1c C    45.4510  -19.2499
            7   N1b N    43.1200  -19.2374
            8   C1c C    41.9504  -19.9047
            9   C5a C    40.7923  -19.2247
            10  O5a O    40.7877  -18.1032
            11  C5a C    44.2853  -19.9106
            12  O5a O    44.2816  -21.2649
            13  N1b N    45.4427  -17.8960
            14  C5a C    46.6126  -17.2116
            15  O5a O    47.7839  -17.8814
            16  C1c C    46.6320  -14.4917
            17  N1b N    40.8438  -14.2239
            18  C1c C    42.0147  -13.5396
            19  C5a C    43.1785  -14.2168
            20  O5a O    43.2132  -15.5639
            21  N1b N    44.3424  -13.5325
            22  C1b C    47.6795  -13.7419
            23  C1c C    48.8909  -14.3363
            24  C1a C    50.0154  -13.5863
            25  C1a C    48.8447  -15.6802
            26  C1b C    42.0117  -12.1923
            27  C8y C    43.1772  -11.5126
            28  C8x C    44.3386  -12.1901
            29  C8x C    45.5042  -11.5104
            30  C8x C    45.5011  -10.1631
            31  C8x C    44.3324   -9.4886
            32  C8x C    43.1669  -10.1685
            33  C1b C    46.6255  -19.9196
            34  C1b C    46.6258  -21.2739
            35  N1a N    47.7932  -21.9437
            36  C1b C    41.9419  -21.2590
            37  C1b C    40.7706  -21.9217
            38  N1a N    40.7622  -23.2760
            39  C1b C    38.5166  -15.5783
            40  C1b C    39.6857  -16.2521
            41  N1a N    40.8649  -15.6420
            42  C1c C    38.4775  -19.1147
            43  C1c C    38.5337  -17.5585
            44  C5a C    37.2834  -19.7425
            45  N1b N    36.2153  -19.0244
            46  O5a O    37.3043  -21.0956
            47  C1b C    36.2013  -17.6783
            48  C1a C    39.7280  -16.9305
            49  O1a O    37.3956  -16.8404
            50  C1b C    35.0561  -16.9532
            51  C5a C    35.7864  -13.5537
            52  O5a O    35.1849  -12.3836
            53  C1c C    35.1042  -14.7884
            54  N1b N    33.9031  -14.0757
            55  C5a C    32.7393  -14.7529
            56  C1c C    31.5754  -14.0757
            57  O5a O    32.7393  -16.1000
            58  N1b N    30.4074  -14.7514
            59  C5a C    29.2412  -14.0729
            60  C1b C    31.5771  -12.7284
            61  C1b C    32.7452  -12.0599
            62  N1a N    32.7467  -10.7056
            63  O5a O    29.2427  -12.7255
            64  C1c C    28.0731  -14.7485
            65  N1b N    26.8998  -14.0698
            66  C1c C    28.0714  -16.4456
            67  O1a O    29.2378  -17.1243
            68  C1a C    26.8964  -17.1214
            69  C5a C    25.7317  -14.7456
            70  C1c C    24.5654  -14.0741
            71  O5a O    25.7300  -16.0928
            72  N1b N    23.3973  -14.7427
            73  C5a C    22.2311  -14.0712
            74  C1b C    21.0630  -14.7398
            75  C1b C    24.5671  -12.7198
            76  C1b C    25.7351  -12.0511
            77  N1a N    25.7368  -10.6968
            78  O5a O    22.2328  -12.7169
            79  C1b C    19.8897  -14.0683
            80  C1b C    18.7217  -14.7370
            81  C1b C    17.5553  -14.0654
            82  C1c C    16.3874  -14.7339
            83  C1b C    15.2210  -14.0625
            84  C1a C    16.3857  -16.0813
            85  R   R    14.0530  -14.7310
            86  S4a S    22.0199  -20.6382
            87  O1d O    20.6178  -20.6382
            88  O1d O    23.4221  -20.6382
            89  O1d O    22.0842  -19.2301
            90  O1d O    22.0842  -22.0402
BOND        90
            1     6  13 1
            2    43  48 1
            3    43  49 1 #Down
            4    23  25 1
            5    47  50 1
            6    53  50 1 #Down
            7    18  26 1 #Down
            8     5  51 1
            9    13  14 1
            10   51  52 2
            11   26  27 1
            12   51  53 1
            13    2   5 1
            14   53  54 1
            15   14  15 2
            16   54  55 1
            17    7   8 1
            18   55  56 1
            19    8   9 1
            20   55  57 2
            21    9  10 2
            22   56  58 1
            23   27  28 2
            24   58  59 1
            25   28  29 1
            26   56  60 1 #Up
            27   29  30 2
            28   60  61 1
            29   30  31 1
            30   61  62 1
            31   31  32 2
            32   59  63 2
            33   32  27 1
            34   59  64 1
            35   64  65 1
            36    6  33 1 #Up
            37   64  66 1 #Down
            38    7  11 1
            39   66  67 1 #Down
            40   33  34 1
            41   66  68 1
            42    3   4 2
            43   65  69 1
            44   34  35 1
            45   69  70 1
            46   18  19 1
            47   69  71 2
            48    8  36 1 #Up
            49   70  72 1
            50   19  20 2
            51   72  73 1
            52   36  37 1
            53   73  74 1
            54   19  21 1
            55   70  75 1 #Up
            56   37  38 1
            57   75  76 1
            58   17   3 1
            59   76  77 1
            60    1   9 1
            61   73  78 2
            62   17  18 1
            63   74  79 1
            64    2  39 1 #Down
            65   79  80 1
            66   21  16 1
            67   80  81 1
            68   39  40 1
            69   81  82 1
            70   14  16 1
            71   82  83 1
            72   40  41 1
            73   82  84 1
            74   11  12 2
            75   83  85 1
            76    1  42 1
            77   16  22 1 #Up
            78   42  43 1 #Down
            79   11   6 1
            80   42  44 1
            81   22  23 1
            82   44  45 1
            83    3   2 1
            84   44  46 2
            85   23  24 1
            86   45  47 1
            87   86  87 1
            88   86  88 1
            89   86  89 2
            90   86  90 2
BRACKET     1    19.2500  -22.4700   19.2500  -18.5500
            1    24.7100  -18.5500   24.7100  -22.4700
            1  x
 ORIGINAL  1   86  87  88  89  90
 REPEAT    1

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