KEGG   DRUG: Abacavir sulfateHelp
Entry
D00891                      Drug                                   

Name
Abacavir sulfate (JAN/USAN);
Ziagen (TN)
Product
  Generic
Formula
(C14H18N6O)2. H2SO4
Exact mass
670.2758
Mol weight
670.7431
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antiviral
 DG01890  Nucleoside reverse transcriptase inhibitor
 DG01656  HIV reverse transcriptase inhibitor
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antiviral
  Disease
HIV infection [DS:H01563]
Comment
Nucleoside reverse transcriptase inhibitor (NRTI)
Patients who carry the HLA-B*5701 allele are at high risk for experiencing a hypersensitivity reaction to Abacavir
Target
RNA-directed DNA polymerase inhibitor
Interaction
Genomic biomarker: HLA-B [HSA:3106]
Drug interaction
Structure map
Antiviral agents
Anti-HIV agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AF Nucleoside and nucleotide reverse transcriptase inhibitors
     J05AF06 Abacavir
      D00891  Abacavir sulfate (JAN/USAN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Nucleoside and Nucleotide Reverse Transcriptase Inhibitors (NRTI)v
   Abacavir
    D00891  Abacavir sulfate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D00891  Abacavir sulfate (JAN/USAN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Reverse transcriptase inhibitor (RTI)
    Nucleoside and nucleotide reverse transcriptase inhibitor (NRTIs)
     Abacavir
      D00891  Abacavir sulfate (JAN/USAN)
Antivirals [br08351.html]
 D00891
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D00891
BRITE hierarchy
Other DBs
CAS: 
188062-50-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        47
            1   S4a S    33.1161  -16.8714
            2   O1d O    31.7182  -16.8656
            3   O1d O    34.5138  -16.8714
            4   O1d O    33.1102  -15.4737
            5   O1d O    33.1102  -18.2750
            6   C8y C    23.3800  -16.8700
            7   C8y C    23.3800  -18.3400
            8   C8y C    24.5700  -16.1700
            9   N5x N    22.1900  -16.3800
            10  N4y N    22.1200  -18.7600
            11  N5x N    24.5700  -19.1100
            12  N1b N    24.5700  -14.8400
            13  N5x N    25.8300  -16.9400
            14  C8x C    21.3500  -17.5000
            15  C1y C    21.0000  -19.6700
            16  C8y C    25.8300  -18.4100
            17  C1y C    25.8300  -14.1400
            18  C1x C    19.8100  -18.9000
            19  C2x C    20.5800  -21.0000
            20  N1a N    27.0200  -19.1800
            21  C1x C    27.2300  -14.2100
            22  C1x C    26.5300  -12.9500
            23  C1y C    18.7600  -19.6700
            24  C2x C    19.2500  -21.0000
            25  C1b C    17.4300  -19.3200
            26  O1a O    16.3800  -20.1600
            27  C8y C    23.3800  -16.8700
            28  C8y C    23.3800  -18.3400
            29  N4y N    22.1200  -18.7600
            30  C1y C    21.0000  -19.6700
            31  C1x C    19.8100  -18.9000
            32  C1y C    18.7600  -19.6700
            33  C1b C    17.4300  -19.3200
            34  O1a O    16.3800  -20.1600
            35  C2x C    19.2500  -21.0000
            36  C2x C    20.5800  -21.0000
            37  C8x C    21.3500  -17.5000
            38  N5x N    22.1900  -16.3800
            39  N5x N    24.5700  -19.1100
            40  C8y C    25.8300  -18.4100
            41  N1a N    27.0200  -19.1800
            42  N5x N    25.8300  -16.9400
            43  C8y C    24.5700  -16.1700
            44  N1b N    24.5700  -14.8400
            45  C1y C    25.8300  -14.1400
            46  C1x C    27.2300  -14.2100
            47  C1x C    26.5300  -12.9500
BOND        52
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     6   7 2
            6     6   8 1
            7     6   9 1
            8     7  10 1
            9     7  11 1
            10    8  12 1
            11    8  13 2
            12    9  14 2
            13   15  10 1 #Up
            14   11  16 2
            15   12  17 1
            16   15  18 1
            17   15  19 1
            18   16  20 1
            19   17  21 1
            20   17  22 1
            21   18  23 1
            22   19  24 2
            23   23  25 1 #Up
            24   25  26 1
            25   10  14 1
            26   13  16 1
            27   21  22 1
            28   23  24 1
            29   27  28 2
            30   27  43 1
            31   27  38 1
            32   28  29 1
            33   28  39 1
            34   43  44 1
            35   43  42 2
            36   38  37 2
            37   30  29 1 #Up
            38   39  40 2
            39   44  45 1
            40   30  31 1
            41   30  36 1
            42   40  41 1
            43   45  46 1
            44   45  47 1
            45   31  32 1
            46   36  35 2
            47   32  33 1 #Up
            48   33  34 1
            49   29  37 1
            50   42  40 1
            51   46  47 1
            52   32  35 1
BRACKET     1    13.6500  -20.7200   13.6500  -13.1600
            1    29.4000  -13.1600   29.4000  -20.7200
            1  2
 ORIGINAL  1    6   7  10  15  18  23  25  26  24  19  14   9  11  16  20  13
            1    8  12  17  21  22
 REPEAT    1   27  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42
            1   43  44  45  46  47

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