KEGG   COMPOUND: C07240Help
Entry
C07240                      Compound                               

Name
Ritonavir
Formula
C37H48N6O5S2
Exact mass
720.3128
Mol weight
720.9442
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Pathway
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]
 Substrates
  CYP3A4
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
 Inhbitors
  CYP2D6
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
  CYP3A
   Ritonavir
    D00427  Ritonavir (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
155213-67-5
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        50
            1   C1c C    26.8409  -19.0337
            2   C1b C    26.8481  -20.4290
            3   C1b C    28.0554  -18.3398
            4   N1b N    25.6337  -18.3470
            5   C8y C    27.8313  -21.4194
            6   C1c C    29.2625  -19.0266
            7   C5a C    24.4264  -19.0411
            8   C8x C    27.1230  -22.6193
            9   C8x C    29.2193  -21.4265
            10  C1c C    30.4626  -18.3327
            11  O1a O    29.2698  -20.4217
            12  C1c C    23.2194  -18.3542
            13  O5a O    24.4264  -20.4362
            14  C8x C    27.8169  -23.8264
            15  C8x C    29.9132  -22.6337
            16  C1b C    30.4626  -16.9302
            17  N1b N    31.6697  -19.0192
            18  N1b N    22.0050  -19.0482
            19  C1c C    23.2120  -16.6729
            20  C8x C    29.2048  -23.8337
            21  C8y C    29.2480  -16.2291
            22  C7a C    32.8840  -18.3254
            23  C5a C    20.7976  -18.3614
            24  C1a C    24.4264  -15.9716
            25  C1a C    21.9976  -15.9716
            26  C8x C    29.2480  -14.8339
            27  C8x C    28.0481  -16.9374
            28  O7a O    34.0914  -19.0122
            29  O6a O    32.8767  -16.9229
            30  N1c N    19.5978  -19.0555
            31  O5a O    20.7976  -16.9592
            32  C8x C    28.0409  -14.1400
            33  C8x C    26.8337  -16.2361
            34  C1b C    35.2986  -18.3183
            35  C1b C    18.3904  -18.3688
            36  C1a C    19.5978  -20.4506
            37  C8x C    26.8337  -14.8410
            38  C8y C    36.5057  -19.0048
            39  C8y C    17.1760  -19.0627
            40  C8x C    36.4986  -20.4001
            41  S2x S    37.8359  -18.5855
            42  N5x N    15.8315  -18.7012
            43  C8x C    17.1783  -20.4577
            44  N5x N    37.8214  -20.8338
            45  C8x C    38.6454  -19.7133
            46  C8y C    15.0581  -19.8722
            47  S2x S    15.9400  -20.9567
            48  C1c C    13.6630  -19.8677
            49  C1a C    12.9111  -18.6965
            50  C1a C    13.0267  -21.1182
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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