KEGG   DRUG: RitonavirHelp
Entry
D00427                      Drug                                   

Name
Ritonavir (JAN/USAN/INN);
Norvir (TN)
Product
Formula
C37H48N6O5S2
Exact mass
720.3128
Mol weight
720.9442
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antiviral
 DG01647  HIV protease inhibitor
Cyp substrate
 DG01633  CYP3A4 substrate
Cyp inhibitor
 DG01645  CYP2D6 inhibitor
 DG01522  CYP3A4 inhibitor
Remark
Same as: 
Therapeutic category: 
ATC code: 
Activity
Antiviral, HIV protease inhibitor
  Disease
HIV infection [DS:H01563]
Target
HIV protease [CPD:C19849]
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551], CYP2D6 [HSA:1565]
Interaction
Transporter inhibition: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234], SLCO1A2 [HSA:6579], ABCB1 [HSA:5243]
CYP inhibition: CYP3A [HSA:1576 1577 1551], CYP2D6 [HSA:1565]
Drug interaction
Structure map
Anti-HIV agents
HIV protease inhibitors
Other map
Bile secretion
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
     J05AE03 Ritonavir
      D00427  Ritonavir (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D00427  Ritonavir (JAN/USAN/INN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Protease inhibitor (PIs)
    Peptidic
     Ritonavir
      D00427  Ritonavir (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2C19
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
  CYP2D6
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
  CYP3A
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
 CYP inducers
  CYP2C19
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
 CYP substrates
  CYP3A4
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
 Transporter inhibitors
  ABCB1
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
  SLCO1A2
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
  SLCO1B1
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
  SLCO1B3
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
Antivirals [br08351.html]
 D00427
BRITE hierarchy
Other DBs
CAS: 
155213-67-5
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        50
            1   C1c C    33.1164  -17.1963
            2   C1b C    33.1237  -18.5903
            3   C1b C    34.3298  -16.5030
            4   N1b N    31.9103  -16.5103
            5   C8y C    34.1059  -19.5798
            6   C1c C    35.5358  -17.1892
            7   C5a C    30.7041  -17.2037
            8   C8x C    33.3982  -20.7786
            9   C8x C    35.4926  -19.5868
            10  C1c C    36.7348  -16.4960
            11  O1a O    35.5431  -18.5831
            12  C1c C    29.4983  -16.5175
            13  O5a O    30.7041  -18.5975
            14  C8x C    34.0915  -21.9846
            15  C8x C    36.1859  -20.7931
            16  C1b C    36.7348  -15.0948
            17  N1b N    37.9408  -17.1819
            18  N1b N    28.2849  -17.2108
            19  C1c C    29.4909  -14.6983
            20  C8x C    35.4782  -21.9919
            21  C8y C    35.5212  -14.3942
            22  C7a C    39.1540  -16.4886
            23  C5a C    27.0787  -16.5247
            24  C1a C    30.7041  -13.9977
            25  C1a C    28.2776  -13.9977
            26  C8x C    35.5212  -13.0004
            27  C8x C    34.3225  -15.1019
            28  O7a O    40.3603  -17.1748
            29  O6a O    39.1465  -15.0875
            30  N1c N    25.8799  -17.2181
            31  O5a O    27.0787  -15.1237
            32  C8x C    34.3153  -12.3071
            33  C8x C    33.1092  -14.4013
            34  C1b C    41.5663  -16.4815
            35  C1b C    24.6737  -16.5321
            36  C1a C    25.8799  -18.6120
            37  C8x C    33.1092  -13.0075
            38  C8y C    42.7723  -17.1675
            39  C8y C    23.4604  -17.2252
            40  C8x C    42.7653  -18.5615
            41  S2x S    44.1013  -16.7485
            42  N5x N    22.1171  -16.8642
            43  C8x C    23.4626  -18.6191
            44  N5x N    44.0868  -18.9947
            45  C8x C    44.9100  -17.8754
            46  C8y C    21.3445  -18.0341
            47  S2x S    22.2256  -19.1175
            48  C1c C    19.9506  -18.0296
            49  C1a C    19.1994  -16.8594
            50  C1a C    19.3149  -19.2789
BOND        53
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1 #Up
            11    7  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 2
            15   10  16 1 #Down
            16   10  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   14  20 2
            20   16  21 1
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   19  25 1
            25   21  26 2
            26   21  27 1
            27   22  28 1
            28   22  29 2
            29   23  30 1
            30   23  31 2
            31   26  32 1
            32   27  33 2
            33   28  34 1
            34   30  35 1
            35   30  36 1
            36   32  37 2
            37   34  38 1
            38   35  39 1
            39   38  40 2
            40   38  41 1
            41   39  42 1
            42   39  43 2
            43   40  44 1
            44   41  45 1
            45   42  46 2
            46   43  47 1
            47   46  48 1
            48   48  49 1
            49   48  50 1
            50   15  20 1
            51   33  37 1
            52   44  45 2
            53   46  47 1

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