KEGG   DRUG: Dalbavancin
Entry
D03640                      Drug                                   
Name
Dalbavancin (USAN/INN);
Zeven (TN);
Dalvance (TN)
  Abbr
DAL
Product
DALVANCE (Allergan)
Formula
C88H100Cl2N10O28
Exact mass
1814.6086
Mol weight
1816.6918
Structure
Class
Antibacterial
 DG01580  Glycopeptide antibiotic
Remark
ATC code: J01XA04
Product: D03640<US>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Target
peptidoglycan (D-Ala-D-Ala)
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XA Glycopeptide antibacterials
     J01XA04 Dalbavancin
      D03640  Dalbavancin (USAN/INN) <US>
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Dalbavancin
    D03640  Dalbavancin (USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01580  Glycopeptide antibiotic
   D03640  Dalbavancin
Drug classes [BR:br08332]
 Antibacterial
  DG01580  Glycopeptide antibiotic
   D03640  Dalbavancin
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, other
   Glycopeptide
    D03640  Dalbavancin (USAN/INN) <US>
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, other
   Glycopeptide
    D03640  Dalbavancin (USAN/INN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D03640
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D03640
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D03640
Other DBs
CAS: 171500-79-1
PubChem: 47205876
ChEBI: 82721
LigandBox: D03640
KCF data

ATOM        128
            1   C1y C    24.2985   -7.6737
            2   O2x O    25.5017   -8.3065
            3   C1y C    26.6587   -7.6418
            4   C1y C    26.7046   -6.2808
            5   C1y C    25.4313   -5.6480
            6   C1y C    24.2743   -6.3128
            7   C6a C    29.0520   -8.2745
            8   O1a O    25.4071   -4.2871
            9   C1y C    26.1972  -24.1061
            10  C1y C    26.1972  -22.7616
            11  O2x O    25.0544  -22.0894
            12  C1y C    23.8444  -22.7616
            13  C1y C    23.8444  -24.1061
            14  C1y C    25.0544  -24.7783
            15  O1a O    27.3400  -24.7783
            16  O1a O    25.0544  -26.1228
            17  C1b C    22.7016  -22.0894
            18  O1a O    22.7016  -24.7783
            19  O2a O    27.3400  -22.0894
            20  C8y C    28.7400  -21.1649
            21  O1a O    21.5588  -22.7616
            22  C8x C    29.9500  -21.8372
            23  C8y C    31.0928  -21.1649
            24  C8x C    31.0928  -19.8205
            25  C8y C    29.9500  -19.1482
            26  C8y C    28.7400  -19.8205
            27  C8y C    27.5972  -19.1482
            28  C8x C    27.5972  -17.8037
            29  C8y C    26.3872  -17.1315
            30  C8x C    25.2444  -17.8037
            31  C8x C    25.2444  -19.1482
            32  C8y C    26.3872  -19.8205
            33  O1a O    26.3872  -21.1649
            34  O1a O    32.2356  -21.8372
            35  C1y C    29.9500  -17.8037
            36  C1y C    26.3872  -15.7870
            37  C5x C    27.5300  -15.1148
            38  N1x N    28.6728  -15.7870
            39  O5x O    27.5300  -13.7703
            40  N1x N    25.2444  -15.1148
            41  N1x N    31.0928  -17.1315
            42  C5x C    31.0928  -15.7870
            43  C5a C    32.1690  -18.3339
            44  N1b N    33.3092  -17.6474
            45  O5a O    32.1872  -19.6545
            46  C1b C    34.4678  -18.2815
            47  C1b C    35.6080  -17.5951
            48  C1b C    36.7666  -18.2292
            49  N1c N    37.9068  -17.5428
            50  C1a C    39.0654  -18.1769
            51  C1a C    37.9586  -16.2221
            52  C1y C    29.9500  -15.1148
            53  O5x O    32.2356  -15.1148
            54  C1y C    29.9500  -13.1092
            55  O1a O    31.0928  -12.4370
            56  C8y C    28.8072  -12.4370
            57  C8x C    28.8072  -11.0925
            58  C8y C    27.6644  -10.4203
            59  C8y C    26.4544  -11.0925
            60  C8x C    26.4544  -12.3697
            61  C8x C    27.5972  -13.1092
            62  X   Cl   27.6644   -9.0758
            63  O2x O    25.3116  -10.3530
            64  C8y C    24.1688  -11.0253
            65  C8y C    23.0260  -10.3530
            66  C8y C    21.8160  -11.0253
            67  C8x C    21.8160  -12.3697
            68  C8y C    22.9588  -13.0420
            69  C8x C    24.1716  -12.3697
            70  O2a O    23.0260   -9.0086
            71  O2x O    20.6732  -10.3530
            72  C8y C    19.4631  -10.9580
            73  C8x C    18.3203  -10.2858
            74  C8x C    17.1103  -10.9580
            75  C8y C    17.1103  -12.3025
            76  C8x C    18.3203  -12.9747
            77  C8x C    19.4631  -12.3025
            78  C5x C    24.1016  -15.7870
            79  C1y C    22.9588  -15.1148
            80  O5x O    24.1016  -17.1315
            81  N1x N    21.8160  -15.7870
            82  C5x C    20.6732  -15.1148
            83  C1y C    19.5304  -15.7870
            84  O5x O    20.6732  -13.7703
            85  C8y C    19.5331  -17.6215
            86  N1x N    18.3876  -15.1148
            87  C5x C    17.2447  -15.7870
            88  C1y C    16.1019  -15.1148
            89  O5x O    17.2045  -16.9672
            90  C1x C    16.1019  -12.9747
            91  N1x N    14.8919  -15.7870
            92  C5x C    13.7491  -15.0476
            93  C1y C    12.6063  -15.7198
            94  O5x O    13.7491  -13.7031
            95  C8y C    12.6091  -17.5543
            96  N1b N    11.4635  -15.0476
            97  C1a C    10.2535  -15.7198
            98  C8x C    11.4663  -18.2265
            99  C8x C    11.4691  -19.5710
            100 C8y C    12.6791  -20.2432
            101 C8y C    13.8219  -19.5710
            102 C8x C    13.8191  -18.2265
            103 C8x C    18.3903  -18.2937
            104 C8y C    18.3903  -19.6382
            105 C8x C    19.5331  -20.3105
            106 C8y C    20.7432  -19.6382
            107 C8y C    20.7432  -18.2937
            108 X   Cl   21.8860  -17.6215
            109 O1a O    21.8860  -20.3105
            110 O2x O    16.1019  -20.7810
            111 O1a O    12.6819  -21.5877
            112 O1a O    27.8202   -5.5305
            113 N1b N    22.7786   -5.2934
            114 O6a O    30.1677   -7.5242
            115 O6a O    29.0762   -9.6355
            116 C5a C    21.6629   -6.0437
            117 C1b C    20.4596   -5.4110
            118 O5a O    21.6171   -7.4047
            119 C1b C    19.3440   -6.1613
            120 C1b C    18.1407   -5.5285
            121 C1b C    16.9616   -6.2567
            122 C1b C    15.7805   -5.5605
            123 C1b C    14.6648   -6.3108
            124 C1b C    13.4615   -5.6781
            125 C1b C    12.3459   -6.4284
            126 C1c C    11.1426   -5.7957
            127 C1a C     9.9635   -6.5239
            128 C1a C    11.1184   -4.4347
BOND        140
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1 #Up
            8     5   8 1 #Up
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    9  14 1
            15    9  15 1 #Up
            16   14  16 1 #Up
            17   12  17 1 #Up
            18   13  18 1 #Down
            19   10  19 1 #Down
            20   19  20 1
            21   17  21 1
            22   20  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   20  26 1
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   27  32 1
            35   32  33 1
            36   23  34 1
            37   25  35 1
            38   29  36 1
            39   36  37 1
            40   37  38 1
            41   37  39 2
            42   36  40 1 #Up
            43   35  41 1 #Down
            44   41  42 1
            45   35  43 1 #Up
            46   43  44 1
            47   43  45 2
            48   44  46 1
            49   46  47 1
            50   47  48 1
            51   48  49 1
            52   49  50 1
            53   49  51 1
            54   42  52 1
            55   42  53 2
            56   52  38 1 #Up
            57   52  54 1
            58   54  55 1 #Up
            59   54  56 1
            60   56  57 2
            61   57  58 1
            62   58  59 2
            63   59  60 1
            64   60  61 2
            65   56  61 1
            66   58  62 1
            67   59  63 1
            68   63  64 1
            69   64  65 2
            70   65  66 1
            71   66  67 2
            72   67  68 1
            73   68  69 2
            74   64  69 1
            75   65  70 1
            76   66  71 1
            77   71  72 1
            78   72  73 2
            79   73  74 1
            80   74  75 2
            81   75  76 1
            82   76  77 2
            83   72  77 1
            84   40  78 1
            85   78  79 1
            86   78  80 2
            87   79  68 1
            88   79  81 1 #Down
            89   81  82 1
            90   82  83 1
            91   82  84 2
            92   83  85 1
            93   83  86 1 #Down
            94   86  87 1
            95   87  88 1
            96   87  89 2
            97   75  90 1
            98   88  90 1
            99   88  91 1 #Down
            100  91  92 1
            101  92  93 1
            102  92  94 2
            103  93  95 1
            104  96  97 1
            105  93  96 1 #Up
            106  95  98 2
            107  98  99 1
            108  99 100 2
            109 100 101 1
            110 101 102 2
            111  95 102 1
            112  85 103 2
            113 103 104 1
            114 104 105 2
            115 105 106 1
            116 106 107 2
            117  85 107 1
            118 107 108 1
            119 106 109 1
            120 101 110 1
            121 100 111 1
            122 104 110 1
            123   1  70 1 #Up
            124   4 112 1 #Down
            125   6 113 1 #Down
            126   7 114 1
            127   7 115 2
            128 113 116 1
            129 116 117 1
            130 116 118 2
            131 117 119 1
            132 119 120 1
            133 120 121 1
            134 121 122 1
            135 122 123 1
            136 123 124 1
            137 124 125 1
            138 125 126 1
            139 126 127 1
            140 126 128 1

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Ontology (9)   
   KEGG BRITE (9)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (13)   

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