KEGG   DRUG: D07471Help
Entry
D07471                      Drug                                   

Name
Atazanavir (INN);
Reyataz (TN)
Formula
C38H52N6O7
Exact mass
704.3897
Mol weight
704.8555
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral, HIV protease inihibitor
Remark
ATC code: 
Drug group: 
Target
HIV protease inhibitor [CPD:C19849]
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT [HSA:54658]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Transporter inhibition: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
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
      D07471  Atazanavir (INN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors
   Atazanavir
    D07471  Atazanavir (INN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Protease inhibitor (PIs)
    Aza-peptidic
     Atazanavir
      D07471  Atazanavir (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A
   Atazanavir
    D07471  Atazanavir (INN)
 CYP substrates
  CYP3A4
   Atazanavir
    D07471  Atazanavir (INN)
 Transporter inhibitors
  SLCO1B1
   Atazanavir
    D07471  Atazanavir (INN)
  SLCO1B3
   Atazanavir
    D07471  Atazanavir (INN)
BRITE hierarchy
Other DBs
CAS: 
198904-31-3
PubChem: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        51
            1   C1b C    28.7700  -21.7700
            2   C1a C    17.1500  -24.0800
            3   O7a O    18.3400  -24.7800
            4   C7a C    19.4600  -24.0800
            5   N1b N    20.6500  -24.7800
            6   C1c C    21.8400  -24.0800
            7   C5a C    22.9600  -24.7800
            8   N1b N    24.1500  -24.0800
            9   C1c C    25.2700  -24.7800
            10  C1c C    26.4600  -24.0800
            11  C1b C    27.6500  -24.7800
            12  N1c N    28.7700  -24.0800
            13  N1b N    29.9600  -24.7800
            14  C5a C    31.0800  -24.0800
            15  C1c C    32.2700  -24.7800
            16  N1b N    33.3900  -24.0800
            17  C7a C    34.5800  -24.7800
            18  O7a O    35.7700  -24.0800
            19  C1a C    36.8900  -24.7800
            20  O6a O    19.4600  -22.7500
            21  C1d C    21.8400  -21.5600
            22  C1a C    21.8400  -20.2300
            23  O5a O    22.9600  -26.1100
            24  C1b C    25.2700  -26.1100
            25  C8y C    26.4600  -26.7400
            26  C8x C    26.4600  -28.1400
            27  C8x C    27.6500  -28.7700
            28  C8x C    28.7700  -28.1400
            29  C8x C    28.7700  -26.7400
            30  C8x C    27.6500  -26.1100
            31  O1a O    26.4600  -22.7500
            32  O5a O    31.0800  -22.7500
            33  C1d C    32.2700  -27.0200
            34  C1a C    32.2700  -28.4200
            35  O6a O    34.5800  -26.1100
            36  C1a C    23.1700  -21.5600
            37  C1a C    20.4400  -21.5600
            38  C8y C    29.9600  -21.1400
            39  C8x C    31.0800  -21.7700
            40  C8x C    32.2700  -21.0700
            41  C8y C    32.2700  -19.7400
            42  C8x C    31.1500  -19.0400
            43  C8x C    29.9600  -19.7400
            44  C8y C    33.4600  -19.0400
            45  N5x N    34.6500  -19.7400
            46  C8x C    35.8400  -19.0400
            47  C8x C    35.8400  -17.7100
            48  C8x C    34.6500  -17.0100
            49  C8x C    33.4600  -17.7100
            50  C1a C    33.6000  -27.0200
            51  C1a C    30.8700  -27.0200
BOND        53
            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

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