KEGG   DRUG: Lysozyme
Entry
D08152                      Drug                                   

Name
Lysozyme (DCF);
Muramidase
Remark
ATC code: D06BB07 J05AX02
Chemical structure group: DG00409
Product (DG00409): D03332<JP>
Efficacy
Anti-inflammatory
Comment
See lysozyme [EC:3.2.1.17]
Other map
map01503  Cationic antimicrobial peptide (CAMP) resistance
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06B CHEMOTHERAPEUTICS FOR TOPICAL USE
    D06BB Antivirals
     D06BB07 Lysozyme
      D08152  Lysozyme (DCF)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AX Other antivirals
     J05AX02 Lysozyme
      D08152  Lysozyme (DCF)
Other DBs
CAS: 9001-63-2
PubChem: 96024842
NIKKAJI: J300.903C
LinkDB

» Japanese version   » Back

KEGG   COMPOUND: C15936
Entry
C15936                      Compound                               

Name
Magainin 2;
Magainin II
Sequence
Gly Ile Gly Lys Phe Leu His Ser Ala Lys Lys Phe Gly Lys Ala Phe
Val Gly Glu Ile Met Asn Ser
  Organism
Xenopus laevis [XLA:397766]
  Type
Peptide
Pathway
map01503  Cationic antimicrobial peptide (CAMP) resistance
Other DBs
CAS: 108433-95-0
PubChem: 47205253
ChEBI: 80190
NIKKAJI: J352.857J
LinkDB

» Japanese version

KEGG   COMPOUND: C11198
Entry
C11198                      Compound                               

Name
Melitten;
Melittin
Formula
C131H229N39O31
Exact mass
2844.7542
Mol weight
2846.4627
Structure
Sequence
Gly Ile Gly Ala Val Leu Lys Val Leu Thr Thr Gly Leu Pro Ala Leu
Ile Ser Trp Ile Lys Arg Lys Arg Gln Gln-NH2
  Organism
Apis mellifera [AME:406130]
  Type
Peptide
Pathway
map01503  Cationic antimicrobial peptide (CAMP) resistance
Brite
Natural toxins [BR:br08009]
 Venoms
  Bee venoms
   Peptides
    C11198  Melitten
Target-based classification of compounds [BR:br08010]
 Enzymes
  Hydrolases
   phospholipase A2
    C11198  Melitten
Other DBs
CAS: 20449-79-0
PubChem: 13379
ChEBI: 6736
NIKKAJI: J390.575F J831.308C
LinkDB
KCF data

ATOM        201
            1   N1b N    33.6000  -32.6900
            2   C5a C    34.7900  -31.9900
            3   O5a O    34.7900  -30.5900
            4   N1b N    19.1800  -31.9900
            5   C5a C    20.5100  -31.9900
            6   C1b C    17.9900  -28.6300
            7   C1c C    19.1800  -29.2600
            8   C5a C    20.3700  -28.5600
            9   N1b N    20.3700  -27.2300
            10  O5a O    21.5600  -29.2600
            11  C1c C    21.5600  -26.5300
            12  C1c C    22.7500  -27.2300
            13  C1a C    22.7500  -28.5600
            14  C1b C    23.8700  -26.5300
            15  C1a C    25.0600  -27.2300
            16  C5a C    21.5600  -25.1300
            17  O5a O    20.3000  -24.4300
            18  N1b N    22.6800  -24.4300
            19  C1c C    22.6800  -23.1000
            20  C1b C    21.4900  -22.4000
            21  C1b C    20.3000  -23.0300
            22  C1b C    19.1100  -22.4000
            23  C1b C    17.9200  -23.0300
            24  N1a N    16.7300  -22.4000
            25  C5a C    23.8700  -22.4000
            26  O5a O    25.0600  -23.0300
            27  N1b N    23.8700  -21.0000
            28  C1c C    25.0600  -20.3000
            29  C5a C    25.0600  -18.9000
            30  O5a O    26.2500  -18.2000
            31  C1b C    26.2500  -21.0000
            32  C1b C    27.4400  -20.3000
            33  C1b C    28.6300  -21.0000
            34  N1b N    29.8200  -20.3000
            35  C2c C    31.0100  -21.0000
            36  N2a N    31.0100  -22.3300
            37  N1a N    32.2000  -20.3000
            38  N1b N    23.8700  -18.2700
            39  C1c C    22.6800  -18.9000
            40  C1b C    22.6800  -20.3000
            41  C1b C    21.4900  -21.0000
            42  C1b C    20.3000  -20.3000
            43  C1b C    19.1100  -21.0000
            44  C5a C    21.4900  -18.2000
            45  N1b N    20.3000  -18.9000
            46  C1c C    19.1100  -18.2000
            47  C1b C    17.9200  -18.9000
            48  O5a O    21.4900  -16.8700
            49  C5a C    19.1100  -16.8700
            50  O5a O    20.4400  -16.8700
            51  N1b N    19.1100  -15.4700
            52  C1c C    17.8500  -14.7700
            53  C1b C    16.6600  -15.4700
            54  C1b C    15.4700  -14.7700
            55  C5a C    14.2800  -15.4700
            56  O5a O    14.2800  -16.8000
            57  N1a N    13.0900  -14.7700
            58  C1b C    16.7300  -18.2000
            59  C1b C    15.4700  -18.9000
            60  N1b N    14.2800  -18.2000
            61  C2c C    13.0900  -18.9000
            62  N1a N    11.9000  -18.2000
            63  N2a N    13.0900  -20.3000
            64  C5a C    17.8500  -12.0400
            65  O5a O    20.5100  -30.6600
            66  C1c C    21.7000  -32.6900
            67  C1b C    21.7000  -34.0900
            68  O1a O    20.5100  -34.7200
            69  N1b N    22.8900  -31.9900
            70  C5a C    24.0800  -32.6900
            71  O5a O    24.0800  -34.0900
            72  C1c C    25.2700  -31.9900
            73  C1c C    25.2700  -30.5900
            74  C1a C    24.0800  -29.8900
            75  C1b C    26.4600  -29.8900
            76  C1a C    26.4600  -28.5600
            77  N1b N    26.4600  -32.6900
            78  C5a C    27.6500  -31.9900
            79  O5a O    27.6500  -30.5900
            80  C1c C    28.8400  -32.6900
            81  C1b C    28.8400  -34.0200
            82  C1c C    27.6500  -34.7200
            83  C1a C    27.6500  -36.1200
            84  C1a C    26.3900  -34.0200
            85  N1b N    30.0300  -31.9900
            86  C5a C    31.2200  -32.6900
            87  C1c C    32.4100  -31.9900
            88  O5a O    31.2200  -34.0200
            89  C1a C    32.4100  -30.5900
            90  N1a N    17.8500  -20.3000
            91  O5a O    19.0400  -11.3400
            92  N1b N    16.6600  -11.3400
            93  C1c C    15.4700  -12.0400
            94  C5a C    15.4700  -13.3700
            95  O5a O    14.2800  -14.0700
            96  N1a N    16.6600  -14.0700
            97  C1b C    14.2800  -11.3400
            98  C1b C    13.0900  -12.0400
            99  C5a C    11.9000  -11.3400
            100 O5a O    11.9000   -9.9400
            101 N1a N    10.7100  -12.0400
            102 C5a C    37.1000  -30.5900
            103 O5a O    35.9100  -29.8900
            104 C1c C    38.2900  -29.8900
            105 C1b C    39.4800  -30.5900
            106 C1c C    40.6700  -29.8900
            107 C1a C    41.8600  -30.5900
            108 C1a C    40.6700  -28.4900
            109 N1b N    38.2900  -28.4900
            110 C5a C    37.1000  -27.7900
            111 O5a O    35.9100  -28.4900
            112 C1b C    37.1000  -26.4600
            113 N1b N    35.9100  -25.7600
            114 C5a C    35.9100  -24.3600
            115 O5a O    34.7200  -23.6600
            116 C1c C    37.1000  -23.6600
            117 C1c C    38.2900  -24.3600
            118 O1a O    38.2900  -25.7600
            119 C1a C    39.4800  -23.6600
            120 N1b N    37.1000  -22.3300
            121 C5a C    35.9100  -21.6300
            122 O5a O    34.7200  -22.3300
            123 C1c C    35.9100  -20.2300
            124 C1c C    37.1000  -19.5300
            125 N1b N    34.7200  -19.5300
            126 O1a O    37.1000  -18.2000
            127 C1a C    38.2900  -20.2300
            128 C5a C    34.7200  -18.2000
            129 O5a O    35.9100  -17.5000
            130 C1c C    33.4600  -17.5000
            131 C1b C    32.2700  -18.2000
            132 C1c C    31.0800  -17.5000
            133 C1a C    31.0800  -16.1000
            134 C1a C    29.8900  -18.2000
            135 N1b N    33.4600  -16.1000
            136 C5a C    34.6500  -15.4000
            137 O5a O    35.8400  -16.1000
            138 C1c C    34.6500  -14.0700
            139 C1c C    33.4600  -13.3700
            140 C1a C    32.2700  -14.0700
            141 C1a C    33.4600  -11.9700
            142 N1b N    35.8400  -13.3700
            143 C5a C    37.0300  -14.0700
            144 O5a O    37.0300  -15.4000
            145 C1c C    38.2200  -13.3700
            146 C1b C    39.4100  -14.0000
            147 C1b C    40.6000  -13.3700
            148 C1b C    41.7900  -14.0000
            149 C1b C    42.9800  -13.3000
            150 N1a N    44.1700  -14.0000
            151 N1b N    38.2200  -11.9700
            152 C5a C    39.4100  -11.2700
            153 O5a O    40.6000  -11.9700
            154 C1c C    39.4100   -9.8700
            155 C1b C    38.2200   -9.2400
            156 N1b N    40.6000   -9.1700
            157 C1c C    37.0300   -9.8700
            158 C1a C    37.0300  -10.9900
            159 C1a C    35.8400   -9.1700
            160 C5a C    41.7900   -9.8700
            161 O5a O    41.7900  -11.2700
            162 C1c C    42.9800   -9.1700
            163 C1c C    44.1700   -9.8700
            164 C1a C    44.1700  -11.2700
            165 C1a C    45.3600   -9.1700
            166 N1b N    42.9800   -7.8400
            167 C5a C    41.7900   -7.1400
            168 O5a O    40.6000   -7.8400
            169 C1c C    41.7900   -5.7400
            170 C1a C    42.9800   -5.0400
            171 N1b N    40.6000   -5.0400
            172 C5a C    39.3400   -5.7400
            173 O5a O    39.3400   -7.1400
            174 C1b C    38.1500   -5.0400
            175 N1b N    36.9600   -5.7400
            176 C5a C    35.7700   -5.0400
            177 O5a O    35.7700   -3.6400
            178 C1c C    34.5800   -5.7400
            179 C1c C    34.5800   -7.1400
            180 C1a C    35.7700   -7.7700
            181 C1b C    33.3900   -7.7700
            182 C1a C    32.2000   -7.0700
            183 N1b N    33.3900   -5.0400
            184 C5a C    33.3900   -3.6400
            185 O5a O    34.5800   -2.9400
            186 C1b C    32.2000   -3.0100
            187 N1a N    31.0100   -3.6400
            188 C1y C    35.9800  -32.5500
            189 C1x C    36.4000  -33.8800
            190 C1x C    37.8000  -33.8800
            191 C1x C    38.2200  -32.5500
            192 N1y N    37.1000  -31.7100
            193 C8y C    16.8041  -29.3740
            194 C8y C    15.5107  -28.8543
            195 C8y C    14.6168  -29.9237
            196 N4x N    15.3576  -31.1044
            197 C8x C    16.7794  -30.7647
            198 C8x C    15.0294  -27.5396
            199 C8x C    13.6503  -27.2991
            200 C8x C    12.7563  -28.3685
            201 C8x C    13.2376  -29.6832
BOND        203
            1     6   7 1
            2     7   8 1
            3     8   9 1
            4     8  10 2
            5     9  11 1
            6     1   2 1
            7    11  12 1
            8    12  13 1
            9    12  14 1
            10   14  15 1
            11   11  16 1
            12   16  17 2
            13   16  18 1
            14   18  19 1
            15   19  20 1
            16   20  21 1
            17   21  22 1
            18   22  23 1
            19   23  24 1
            20   19  25 1
            21   25  26 2
            22   25  27 1
            23    2   3 2
            24   27  28 1
            25   28  29 1
            26   29  30 2
            27   28  31 1
            28   31  32 1
            29   32  33 1
            30   33  34 1
            31   34  35 1
            32   35  36 2
            33   35  37 1
            34   29  38 1
            35   38  39 1
            36   39  40 1
            37   40  41 1
            38   41  42 1
            39   42  43 1
            40   39  44 1
            41   44  45 1
            42   45  46 1
            43   46  47 1
            44   44  48 2
            45   46  49 1
            46   49  50 2
            47   49  51 1
            48   51  52 1
            49   52  53 1
            50   53  54 1
            51   54  55 1
            52   55  56 2
            53   55  57 1
            54   47  58 1
            55   58  59 1
            56   59  60 1
            57   60  61 1
            58   61  62 1
            59   61  63 2
            60   52  64 1
            61    7   4 1
            62    5  65 2
            63    5  66 1
            64   66  67 1
            65   67  68 1
            66   66  69 1
            67   69  70 1
            68   70  71 2
            69   70  72 1
            70   72  73 1
            71   73  74 1
            72   73  75 1
            73   75  76 1
            74   72  77 1
            75   77  78 1
            76   78  79 2
            77   78  80 1
            78   80  81 1
            79   81  82 1
            80   82  83 1
            81   82  84 1
            82   80  85 1
            83   85  86 1
            84   86  87 1
            85   87   1 1
            86   86  88 2
            87   87  89 1
            88   43  90 1
            89   64  91 2
            90    4   5 1
            91   64  92 1
            92   92  93 1
            93   93  94 1
            94   94  95 2
            95   94  96 1
            96   93  97 1
            97   97  98 1
            98   98  99 1
            99   99 100 2
            100  99 101 1
            101 117 118 1
            102 143 144 2
            103 143 145 1
            104 117 119 1
            105 145 146 1
            106 105 106 1
            107 146 147 1
            108 116 120 1
            109 147 148 1
            110 148 149 1
            111 120 121 1
            112 149 150 1
            113 106 107 1
            114 145 151 1
            115 121 122 2
            116 151 152 1
            117 152 153 2
            118 121 123 1
            119 152 154 1
            120 106 108 1
            121 154 155 1
            122 123 124 1
            123 154 156 1
            124 155 157 1
            125 123 125 1
            126 157 158 1
            127 104 109 1
            128 157 159 1
            129 124 126 1
            130 156 160 1
            131 160 161 2
            132 124 127 1
            133 160 162 1
            134 109 110 1
            135 162 163 1
            136 125 128 1
            137 163 164 1
            138 163 165 1
            139 128 129 2
            140 162 166 1
            141 110 111 2
            142 166 167 1
            143 128 130 1
            144 167 168 2
            145 167 169 1
            146 130 131 1
            147 169 170 1
            148 110 112 1
            149 169 171 1
            150 131 132 1
            151 171 172 1
            152 172 173 2
            153 132 133 1
            154 172 174 1
            155 112 113 1
            156 174 175 1
            157 132 134 1
            158 175 176 1
            159 102 103 2
            160 176 177 2
            161 130 135 1
            162 176 178 1
            163 113 114 1
            164 178 179 1
            165 135 136 1
            166 179 180 1
            167 179 181 1
            168 136 137 2
            169 181 182 1
            170 114 115 2
            171 178 183 1
            172 136 138 1
            173 183 184 1
            174 102 104 1
            175 184 185 2
            176 138 139 1
            177 184 186 1
            178 114 116 1
            179 186 187 1
            180 139 140 1
            181 139 141 1
            182 116 117 1
            183 138 142 1
            184 104 105 1
            185 142 143 1
            186 188 189 1
            187 189 190 1
            188 190 191 1
            189 191 192 1
            190 188 192 1
            191 102 192 1
            192   2 188 1
            193   6 193 1
            194 193 194 1
            195 194 195 1
            196 195 196 1
            197 196 197 1
            198 193 197 2
            199 194 198 2
            200 198 199 1
            201 199 200 2
            202 200 201 1
            203 195 201 2

» Japanese version

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)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell membrane function inhibitor
   Polypeptide
    D08401  Polymyxin B (INN)
Other DBs
CAS: 1404-26-8
PubChem: 96025087
ChEBI: 59063
NIKKAJI: J301.776A
LinkDB
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

» Japanese version   » Back

KEGG   DRUG: Vancomycin
Entry
D00212                      Drug                                   

Name
Vancomycin (USP);
Vancocin (TN)
Formula
C66H75Cl2N9O24
Exact mass
1447.4302
Mol weight
1449.2536
Structure
Simcomp
Source
Amycolatopsis orientalis [TAX:31958], Streptomyces orientalis [TAX:31958]
Class
Antibacterial
 DG01580  Glycopeptide antibiotic
Remark
Same as: C06689
ATC code: A07AA09 J01XA01 S01AA28
Chemical structure group: DG00086
Product (DG00086): D00926<JP/US>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Comment
Natural product
Glycopeptide
Vancomycin makes complex formation with D-alanyl-D-alanine of Peptidoglycan, and inhibites cross-link between protein and peptideglycan.
Target
peptidoglycan (D-Ala-D-Ala)
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Biosynthesis
map01055  Biosynthesis of vancomycin group antibiotics
Other map
map01503  Cationic antimicrobial peptide (CAMP) resistance
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07A INTESTINAL ANTIINFECTIVES
    A07AA Antibiotics
     A07AA09 Vancomycin
      D00212  Vancomycin (USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XA Glycopeptide antibacterials
     J01XA01 Vancomycin
      D00212  Vancomycin (USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA28 Vancomycin
      D00212  Vancomycin (USP)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, other
   Glycopeptide
    D00212  Vancomycin (USP)
Other DBs
CAS: 1404-90-6
PubChem: 7847279
ChEBI: 28001
ChEMBL: CHEMBL262777 CHEMBL3735877
DrugBank: DB00512
LigandBox: D00212
NIKKAJI: J34.275K
LinkDB
KCF data

ATOM        101
            1   C1y C    22.1523  -23.0181
            2   C1x C    22.1616  -21.6755
            3   O2x O    23.3049  -23.6865
            4   C1z C    23.3233  -21.0234
            5   C1y C    24.4667  -23.0342
            6   C1y C    24.4759  -21.6916
            7   C1a C    22.3951  -19.9369
            8   N1a N    24.2867  -19.9500
            9   C1a C    25.6267  -23.7026
            10  O1a O    25.6451  -21.0396
            11  C8y C    19.9288  -18.7446
            12  C8y C    21.0859  -18.0770
            13  C8y C    18.7713  -18.0843
            14  O2a O    19.9371  -20.0799
            15  C8x C    21.0786  -16.7343
            16  O2x O    22.2358  -18.7373
            17  C8x C    18.7640  -16.7491
            18  O2x O    17.6068  -18.7373
            19  C1y C    18.7766  -21.8455
            20  C8y C    19.9139  -16.0667
            21  C8y C    23.4004  -18.0696
            22  C8y C    16.4420  -18.0770
            23  C1y C    18.7766  -23.1881
            24  O2x O    17.6121  -21.1779
            25  C1y C    19.9467  -13.9511
            26  C8y C    23.4004  -16.7343
            27  C8x C    24.5577  -18.7298
            28  C8y C    15.2849  -18.7373
            29  C8x C    16.4346  -16.7343
            30  C1y C    17.6268  -23.8707
            31  C1y C    16.4474  -21.8604
            32  C5x C    21.0265  -13.2760
            33  N1x N    18.7270  -13.2833
            34  C8x C    24.5577  -16.0591
            35  X   Cl   22.2358  -16.0518
            36  C8x C    25.7075  -18.0696
            37  C8x C    14.1275  -18.0843
            38  X   Cl   15.2774  -20.0726
            39  C8x C    15.2701  -16.0667
            40  C1y C    16.4546  -23.2105
            41  O1a O    17.6194  -25.1986
            42  N1x N    22.1913  -13.9511
            43  O5x O    21.0192  -11.9407
            44  C5x C    17.5695  -13.9584
            45  C8y C    25.7075  -16.7343
            46  C8y C    14.1203  -16.7491
            47  O1a O    15.2899  -23.8632
            48  C1y C    23.3411  -13.2760
            49  C1y C    16.4124  -13.2909
            50  O5x O    17.5623  -15.2937
            51  C1y C    26.8574  -16.0518
            52  C1y C    12.9555  -16.0667
            53  C8y C    23.2785  -11.9407
            54  C5x C    24.4983  -13.9435
            55  N1x N    15.2552  -13.9660
            56  C1y C    26.8499  -13.9511
            57  O1a O    28.0146  -16.7270
            58  C1y C    12.9481  -13.9733
            59  O1a O    11.7908  -16.7343
            60  C8x C    24.5058  -11.2729
            61  C8x C    22.1840  -11.2729
            62  N1x N    25.6554  -13.2685
            63  C5x C    14.1054  -13.2982
            64  C5x C    28.0073  -13.2760
            65  N1b N    11.7834  -13.3057
            66  C8y C    24.5058   -9.9303
            67  C8x C    22.1840   -9.9376
            68  O5x O    14.1678  -11.9629
            69  N1x N    27.9998  -11.9407
            70  O5x O    29.1645  -13.9511
            71  C5a C    10.6261  -13.9660
            72  C8y C    25.6703   -9.2774
            73  C8y C    23.3411   -9.2625
            74  C1y C    26.8350  -11.2729
            75  C1c C     9.4688  -13.2982
            76  O5a O    10.6187  -15.3010
            77  C8y C    26.8277   -9.9376
            78  C8y C    25.6630   -7.9347
            79  C6a C    29.0755   -9.9897
            80  C1b C     9.4615  -11.9629
            81  N1b N     8.3041  -13.9584
            82  C8x C    27.9849   -9.2625
            83  C8x C    26.8129   -7.2596
            84  O1a O    24.4983   -7.2596
            85  C8y C    27.9776   -7.9198
            86  O1a O    29.1273   -7.2375
            87  O5x O    24.5017  -15.3103
            88  O1a O    23.3357   -7.8673
            89  O6a O    30.2660  -10.6825
            90  O6a O    29.0800   -8.6255
            91  C1a C     8.3012  -15.3102
            92  C1c C     8.2758  -11.2878
            93  C1a C     7.0582  -12.0004
            94  C1a C     8.2672   -9.9349
            95  C1b C    16.4087  -11.1067
            96  C5a C    17.5830  -10.4243
            97  N1a N    18.7559  -11.0972
            98  O5a O    17.5793   -9.0391
            99  C1b C    15.2538  -21.1805
            100 O1a O    14.0910  -21.8612
            101 O2a O    20.3945  -23.8738
BOND        110
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Up
            7     4   8 1 #Down
            8     5   9 1 #Down
            9     6  10 1 #Down
            10    5   6 1
            11   11  12 1
            12   11  13 2
            13   11  14 1
            14   12  15 2
            15   12  16 1
            16   13  17 1
            17   13  18 1
            18   19  14 1 #Up
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   19  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   21  27 2
            27   22  28 1
            28   22  29 2
            29   23  30 1
            30   24  31 1
            31   25  32 1
            32   25  33 1 #Up
            33   26  34 2
            34   26  35 1
            35   27  36 1
            36   28  37 2
            37   28  38 1
            38   29  39 1
            39   30  40 1
            40   30  41 1 #Up
            41   32  42 1
            42   32  43 2
            43   33  44 1
            44   34  45 1
            45   37  46 1
            46   40  47 1 #Down
            47   42  48 1
            48   44  49 1
            49   44  50 2
            50   45  51 1
            51   46  52 1
            52   48  53 1
            53   48  54 1 #Down
            54   49  55 1
            55   51  56 1
            56   51  57 1 #Down
            57   52  58 1
            58   52  59 1 #Up
            59   53  60 1
            60   53  61 2
            61   54  62 1
            62   55  63 1
            63   56  64 1
            64   58  65 1 #Up
            65   60  66 2
            66   61  67 1
            67   63  68 2
            68   64  69 1
            69   64  70 2
            70   65  71 1
            71   66  72 1
            72   66  73 1
            73   69  74 1
            74   71  75 1
            75   71  76 2
            76   72  77 2
            77   72  78 1
            78   74  79 1 #Down
            79   75  80 1
            80   75  81 1 #Down
            81   77  82 1
            82   78  83 2
            83   78  84 1
            84   82  85 2
            85   85  86 1
            86   17  20 2
            87   31  40 1
            88   36  45 2
            89   39  46 2
            90   56  62 1 #Down
            91   58  63 1
            92   67  73 2
            93   74  77 1
            94   83  85 1
            95   54  87 2
            96   73  88 1
            97   79  89 1
            98   79  90 2
            99   81  91 1
            100  80  92 1
            101  92  93 1
            102  92  94 1
            103  49  95 1 #Up
            104  95  96 1
            105  96  97 1
            106  96  98 2
            107  31  99 1 #Up
            108  99 100 1
            109  23 101 1 #Down
            110   1 101 1 #Up

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