KEGG   DRUG: Abacavir sulfate
Entry
D00891                      Drug                                   

Name
Abacavir sulfate (JAN/USP);
Ziagen (TN)
Product
  Generic
Formula
(C14H18N6O)2. H2SO4
Exact mass
670.2758
Mol weight
670.7431
Structure
Class
Antiviral
 DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
 DG01656  HIV reverse transcriptase inhibitor
Remark
Therapeutic category: 6250
ATC code: J05AF06
Chemical structure group: DG00660
Product (DG00660): D00891<JP/US>
Product (mixture): D08775<JP/US> D10600<JP/US> D10838<US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
  Disease
HIV-1 infection [DS:H01563]
Target
RNA-directed DNA polymerase
Interaction
Structure map
map07044  Antiviral agents
map07053  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/USP) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Nucleoside and Nucleotide Reverse Transcriptase Inhibitors (NRTI)
   Abacavir
    D00891  Abacavir sulfate (JAN/USP)
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/USP)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00891
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00891
Other DBs
CAS: 188062-50-2
PubChem: 7847955
ChEBI: 2361
ChEMBL: CHEMBL4303288
DrugBank: DB01048
LigandBox: D00891
NIKKAJI: J2.208.842D
LinkDB
KCF data

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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