KEGG   DRUG: Atazanavir sulfate
Entry
D01276                      Drug                                   
Name
Atazanavir sulfate (JAN/USAN);
Reyataz (TN)
Product
REYATAZ (E.R. Squibb & Sons)
  Generic
ATAZANAVIR (Amneal Pharmaceuticals NY LLC), ATAZANAVIR (Camber Pharmaceuticals), ATAZANAVIR (Laurus Labs Limited), ATAZANAVIR (Zydus Lifesciences Limited), ATAZANAVIR (Zydus Pharmaceuticals USA), ATAZANAVIR SULFATE (Aurobindo Pharma Limited), ATAZANAVIR SULFATE (Teva Pharmaceuticals USA)
Formula
C38H52N6O7. H2SO4
Exact mass
802.3571
Mol weight
802.94
Structure
Simcomp
Class
Antiviral
 DG03107  Anti-HIV agent
  DG01647  HIV protease inhibitor
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
 DG02887  UGT1A1 inhibitor
Remark
Therapeutic category: 6250
ATC code: J05AE08
Chemical structure group: DG00657
Product (DG00657): D01276<US>
Product (mixture): D10753<US>
Efficacy
Antiviral, HIV protease inhibitor
  Disease
HIV-1 infection [DS:H01563]
Comment
Treatment of acute and chronic HIV infection
Target
HIV protease [KO:K22599]
  Pathway
ko03230  Viral genome structure
ko03250  Viral life cycle - HIV-1
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Enzyme inhibition: UGT1A1 [HSA:54658]
Structure map
map07053  Anti-HIV agents
map07218  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) <US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors (PI)
   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)
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG01647  HIV protease inhibitor
    DG00657  Atazanavir
     D01276  Atazanavir sulfate
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00657  Atazanavir
     D01276  Atazanavir sulfate
  DG02887  UGT1A1 inhibitor
   DG00657  Atazanavir
    D01276  Atazanavir sulfate
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D01276  Atazanavir sulfate
Antimicrobials [BR:br08307]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    D01276  Atazanavir sulfate (JAN/USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01276
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01276
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01276
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01276
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01276
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG01647  HIV protease inhibitor
    DG00657  Atazanavir
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00657  Atazanavir
  DG02887  UGT1A1 inhibitor
   DG00657  Atazanavir
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    DG00657  Atazanavir
Other DBs
CAS: 229975-97-7
PubChem: 7848339
ChEBI: 31243
LigandBox: D01276
NIKKAJI: J2.046.067I
LinkDB
KCF data

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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