KEGG   DRUG: Lopinavir and ritonavirHelp
Entry
D02498            Mixture   Drug                                   

Name
Lopinavir and ritonavir;
Kaletra (TN)
Product
  Generic
Formula
C37H48N6O5S2. C37H48N4O5
Exact mass
1348.6752
Mol weight
1349.745
Structure
Mol fileKCF fileDB search
Component
Lopinavir [DR:D01425], Ritnavir [DR:D00427]
Class
Antiviral
 DG01647  HIV protease inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A inhibitor
Remark
Therapeutic category: 6250
ATC code: J05AR10
Product: D02498<JP/US>
Efficacy
Antiviral
  Disease
HIV-1 infection [DS:H01563]
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AR Antivirals for treatment of HIV infections, combinations
     J05AR10 Lopinavir and ritonavir
      D02498  Lopinavir and ritonavir <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors
   Lopinavir and Ritonavir
    D02498  Lopinavir and ritonavir
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D02498  Lopinavir and ritonavir
Antiinfectives [br08350.html]
 Antivirals
  D02498
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02498
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02498
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02498
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02498
BRITE hierarchy
Other DBs
CAS: 369372-47-4
PubChem: 17396672
LigandBox: D02498
LinkDB All DBs
KCF data Show

ATOM        96
            1   C1c C    33.1595  -13.2660
            2   C1b C    33.1667  -14.6594
            3   C1b C    34.3723  -12.5730
            4   N1b N    31.9539  -12.5803
            5   C8y C    34.1485  -15.6485
            6   C1c C    35.5778  -13.2589
            7   C5a C    30.7482  -13.2734
            8   C1c C    36.7763  -12.5660
            9   O1a O    35.5851  -14.6522
            10  C1c C    29.5429  -12.5875
            11  O5a O    30.7482  -14.6666
            12  C1b C    36.7763  -11.1654
            13  N1b N    37.9817  -13.2516
            14  N1b N    28.3301  -13.2805
            15  C1c C    29.5355  -10.7691
            16  C8y C    35.5632  -10.4651
            17  C7a C    39.1944  -12.5586
            18  C5a C    27.1244  -12.5947
            19  C1a C    30.7482  -10.0688
            20  C1a C    28.3228  -10.0688
            21  C8x C    35.5632   -9.0720
            22  C8x C    34.3650  -11.1725
            23  O7a O    40.4002  -13.2445
            24  O6a O    39.1869  -11.1581
            25  N1c N    25.9261  -13.2878
            26  O5a O    27.1244  -11.1943
            27  C8x C    34.3578   -8.3790
            28  C8x C    33.1523  -10.4722
            29  C1b C    41.6057  -12.5515
            30  C1b C    24.7204  -12.6021
            31  C1a C    25.9261  -14.6811
            32  C8x C    33.1523   -9.0791
            33  C8y C    42.8111  -13.2372
            34  C8y C    23.5077  -13.2949
            35  C8x C    42.8741  -14.6306
            36  S2x S    44.1396  -12.8184
            37  N5x N    22.1649  -12.9341
            38  C8x C    23.5099  -14.6882
            39  N5x N    44.1251  -15.0636
            40  C8x C    44.9479  -13.9448
            41  C8y C    21.3927  -14.1035
            42  S2x S    22.2734  -15.1864
            43  C1c C    19.9994  -14.0990
            44  C1a C    19.2485  -12.9293
            45  C1a C    19.3640  -15.3477
            46  C8x C    35.5479  -15.6485
            47  C8x C    33.4488  -16.8604
            48  C8x C    34.1485  -18.0723
            49  C8x C    35.5479  -18.0723
            50  C8x C    36.2476  -16.8604
            51  C8x C    29.3761  -24.4774
            52  C8x C    28.6867  -25.6808
            53  C8x C    27.2998  -25.6851
            54  C8x C    26.6024  -24.4864
            55  C8y C    27.2920  -23.2830
            56  C8x C    28.6788  -23.2786
            57  C1b C    26.5914  -22.0787
            58  C8y C    36.2179  -20.6854
            59  O2a O    35.0145  -19.9887
            60  C1b C    33.8113  -20.6854
            61  C5a C    32.6080  -19.9887
            62  N1b N    31.4046  -20.6854
            63  C1c C    30.2013  -19.9887
            64  C1c C    28.9981  -20.6854
            65  C1b C    27.7947  -19.9887
            66  C1c C    26.5914  -20.6854
            67  N1b N    25.3881  -19.9887
            68  C5a C    24.1849  -20.6854
            69  C1c C    22.9816  -19.9887
            70  N1y N    21.7783  -20.6854
            71  C8y C    37.4228  -19.9916
            72  C8x C    38.6261  -20.6882
            73  C8x C    38.6244  -22.0787
            74  C8x C    37.4194  -22.7725
            75  C8y C    36.2162  -22.0758
            76  C1a C    37.4245  -18.5983
            77  C1a C    35.0088  -22.7710
            78  O5a O    32.6080  -18.5955
            79  C1b C    30.2013  -18.5955
            80  C8y C    28.9949  -17.8988
            81  C8x C    27.7966  -18.5948
            82  C8x C    26.5901  -17.8981
            83  C8x C    26.5901  -16.5049
            84  C8x C    27.7966  -15.8082
            85  C8x C    29.0033  -16.5049
            86  O1a O    29.0028  -22.0751
            87  O5a O    24.1849  -22.0787
            88  C1c C    22.9816  -18.1782
            89  C1a C    21.7750  -17.4816
            90  C1a C    24.1883  -17.4816
            91  C1x C    21.7800  -22.0758
            92  C1x C    20.5766  -22.7725
            93  C1x C    19.3717  -22.0787
            94  N1x N    19.3700  -20.6882
            95  C5x C    20.5732  -19.9916
            96  O5x O    20.5718  -18.5983
BOND        102
            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     6   8 1
            8     6   9 1 #Up
            9     7  10 1
            10    7  11 2
            11    8  12 1 #Down
            12    8  13 1
            13   10  14 1
            14   10  15 1 #Up
            15   12  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 1
            19   15  20 1
            20   16  21 2
            21   16  22 1
            22   17  23 1
            23   17  24 2
            24   18  25 1
            25   18  26 2
            26   21  27 1
            27   22  28 2
            28   23  29 1
            29   25  30 1
            30   25  31 1
            31   27  32 2
            32   29  33 1
            33   30  34 1
            34   33  35 2
            35   33  36 1
            36   34  37 1
            37   34  38 2
            38   35  39 1
            39   36  40 1
            40   37  41 2
            41   38  42 1
            42   41  43 1
            43   43  44 1
            44   43  45 1
            45   28  32 1
            46   39  40 2
            47   41  42 1
            48    5  46 1
            49    5  47 2
            50   47  48 1
            51   48  49 2
            52   49  50 1
            53   46  50 2
            54   71  72 1
            55   72  73 2
            56   73  74 1
            57   74  75 2
            58   75  58 1
            59   62  63 1
            60   71  76 1
            61   75  77 1
            62   63  64 1
            63   61  78 2
            64   55  57 1
            65   63  79 1 #Down
            66   64  65 1
            67   79  80 1
            68   51  52 2
            69   65  66 1
            70   52  53 1
            71   66  67 1
            72   58  59 1
            73   80  81 2
            74   81  82 1
            75   82  83 2
            76   83  84 1
            77   84  85 2
            78   85  80 1
            79   64  86 1 #Up
            80   66  57 1 #Down
            81   67  68 1
            82   53  54 2
            83   68  87 2
            84   68  69 1
            85   69  88 1 #Up
            86   59  60 1
            87   88  89 1
            88   69  70 1
            89   88  90 1
            90   54  55 1
            91   60  61 1
            92   55  56 2
            93   61  62 1
            94   56  51 1
            95   70  91 1
            96   91  92 1
            97   92  93 1
            98   93  94 1
            99   94  95 1
            100  95  70 1
            101  58  71 2
            102  95  96 2

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