KEGG   DRUG: Atazanavir sulfateHelp
Entry
D01276                      Drug                                   

Name
Atazanavir sulfate (JAN/USAN);
Reyataz (TN)
Product
Formula
C38H52N6O7. H2SO4
Exact mass
802.3571
Mol weight
802.934
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antiviral
 DG01647  HIV protease inhibitor
Cyp substrate
 DG01633  CYP3A4 substrate
Cyp inhibitor
 DG01522  CYP3A4 inhibitor
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antiviral, HIV protease inhibitor
  Disease
HIV-1 infection [DS:H01563]
Comment
Treatment of acute and chronic HIV infection
Target
HIV protease [CPD:C19849]
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT [HSA:54658]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551], CYP2C8 [HSA:1558], CYP1A2 [HSA:1544], CYP2C9 [HSA:1559]
Transporter inhibition: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234], UGT1A1 [HSA:54658]
Drug interaction
Structure map
Anti-HIV agents
HIV protease inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AE Protease inhibitors
     J05AE08 Atazanavir
      D01276  Atazanavir sulfate (JAN/USAN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors
   Atazanavir
    D01276  Atazanavir sulfate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D01276  Atazanavir sulfate (JAN/USAN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Protease inhibitor (PIs)
    Aza-peptidic
     Atazanavir
      D01276  Atazanavir sulfate (JAN/USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A
   Atazanavir
    D01276  Atazanavir sulfate (JAN/USAN)
 CYP substrates
  CYP3A4
   Atazanavir
    D01276  Atazanavir sulfate (JAN/USAN)
 Transporter inhibitors
  SLCO1B1
   Atazanavir
    D01276  Atazanavir sulfate (JAN/USAN)
  SLCO1B3
   Atazanavir
    D01276  Atazanavir sulfate (JAN/USAN)
Antivirals [br08351.html]
 D01276
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D01276
BRITE hierarchy
Other DBs
CAS: 
229975-97-7
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        56
            1   C1b C    27.2395  -17.2356
            2   C1a C    15.6253  -19.5293
            3   O7a O    16.7868  -20.2017
            4   C7a C    17.9482  -19.5293
            5   N1b N    19.1096  -20.2017
            6   C1c C    20.2710  -19.5293
            7   C5a C    21.4324  -20.2017
            8   N1b N    22.5939  -19.5293
            9   C1c C    23.7553  -20.2017
            10  C1c C    24.9167  -19.5293
            11  C1b C    26.0781  -20.2017
            12  N1c N    27.2395  -19.5293
            13  N1b N    28.4010  -20.2017
            14  C5a C    29.5624  -19.5293
            15  C1c C    30.7238  -20.2017
            16  N1b N    31.8851  -19.5293
            17  C7a C    33.0467  -20.2017
            18  O7a O    34.2081  -19.5293
            19  C1a C    35.3695  -20.2017
            20  O6a O    17.9482  -18.1844
            21  C1d C    20.2710  -17.0353
            22  C1a C    20.3275  -15.6905
            23  O5a O    21.4324  -21.5465
            24  C1b C    23.7553  -21.5465
            25  C8y C    24.9200  -22.2189
            26  C8x C    24.9164  -23.5637
            27  C8x C    26.0810  -24.2361
            28  C8x C    27.2456  -23.5637
            29  C8x C    27.2456  -22.2189
            30  C8x C    26.0810  -21.5465
            31  O1a O    24.9167  -18.1844
            32  O5a O    29.5624  -18.1844
            33  C1d C    30.7238  -22.4923
            34  C1a C    30.7169  -23.8372
            35  O6a O    33.0467  -21.5465
            36  C1a C    21.6085  -17.0283
            37  C1a C    18.8980  -17.0426
            38  C8y C    28.4182  -16.5553
            39  C8x C    29.5595  -17.2144
            40  C8x C    30.7334  -16.5368
            41  C8y C    30.7336  -15.1814
            42  C8x C    29.5923  -14.5223
            43  C8x C    28.4184  -15.1999
            44  C8y C    31.9257  -14.4931
            45  N5x N    33.0920  -15.1666
            46  C8x C    34.2659  -14.4889
            47  C8x C    34.2660  -13.1335
            48  C8x C    33.0997  -12.4600
            49  C8x C    31.9258  -13.1376
            50  C1a C    32.0455  -22.4959
            51  C1a C    29.3347  -22.4886
            52  S4a S    16.6884  -22.8888
            53  O1d O    15.3382  -22.8888
            54  O1d O    18.0386  -22.8888
            55  O1d O    16.6829  -21.5330
            56  O1d O    16.6829  -24.2390
BOND        57
            1    21  22 1
            2     8   9 1
            3     7  23 2
            4     9  24 1 #Down
            5     9  10 1
            6    24  25 1
            7    10  11 1
            8    11  12 1
            9     2   3 1
            10   25  26 2
            11   26  27 1
            12   27  28 2
            13   28  29 1
            14   29  30 2
            15   30  25 1
            16   12  13 1
            17   10  31 1 #Up
            18   12   1 1
            19   14  32 2
            20   13  14 1
            21   15  33 1 #Up
            22    3   4 1
            23   14  15 1
            24   33  34 1
            25   15  16 1
            26   17  35 2
            27    4   5 1
            28   16  17 1
            29   17  18 1
            30    5   6 1
            31   18  19 1
            32    4  20 2
            33    6   7 1
            34    6  21 1 #Up
            35    7   8 1
            36   21  36 1
            37   21  37 1
            38    1  38 1
            39   38  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   42  43 2
            44   38  43 1
            45   41  44 1
            46   44  45 2
            47   45  46 1
            48   46  47 2
            49   47  48 1
            50   48  49 2
            51   44  49 1
            52   33  50 1
            53   33  51 1
            54   52  53 1
            55   52  54 1
            56   52  55 2
            57   52  56 2

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