KEGG   DRUG: D01425Help
Entry
D01425                      Drug                                   

Name
Lopinavir (JAN/USAN/INN)
Formula
C37H48N4O5
Exact mass
628.3625
Mol weight
628.8008
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral [HIV protease inhibitor] [DS:H00406]
Remark
Same as: 
Comment
Component of Kaletra (TN)
Target
HIV protease inhibitor [CPD:C19849]
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Transporter inhibition: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234], SLCO1A2 [HSA:6579]
Drug interaction
Structure map
Anti-HIV agents
HIV protease inhibitors
Brite
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Protease inhibitor (PIs)
    Peptidic
     Lopinavir
      D01425  Lopinavir (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A
   Lopinavir
    D01425  Lopinavir (JAN/USAN/INN)
   Lopinavir
    D01425  Lopinavir (JAN/USAN/INN)
 Inhbitors
  CYP2D6
   Lopinavir
    D01425  Lopinavir (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
192725-17-0
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        46
            1   C8x C    26.1306  -22.8115
            2   C8x C    25.4366  -24.0227
            3   C8x C    24.0406  -24.0271
            4   C8x C    23.3387  -22.8205
            5   C8y C    24.0328  -21.6093
            6   C8x C    25.4287  -21.6048
            7   C1b C    23.3276  -20.3970
            8   C8y C    33.0172  -18.9945
            9   O2a O    31.8060  -18.2933
            10  C1b C    30.5948  -18.9945
            11  C5a C    29.3836  -18.2933
            12  N1b N    28.1724  -18.9945
            13  C1c C    26.9612  -18.2933
            14  C1c C    25.7500  -18.9945
            15  C1b C    24.5388  -18.2933
            16  C1c C    23.3276  -18.9945
            17  N1b N    22.1164  -18.2933
            18  C5a C    20.9053  -18.9945
            19  C1c C    19.6941  -18.2933
            20  N1y N    18.4829  -18.9945
            21  C8y C    34.2300  -18.2962
            22  C8x C    35.4412  -18.9974
            23  C8x C    35.4395  -20.3970
            24  C8x C    34.2266  -21.0953
            25  C8y C    33.0155  -20.3941
            26  C1a C    34.2317  -16.8938
            27  C1a C    31.8002  -21.0938
            28  O5a O    29.3836  -16.8909
            29  C1b C    26.9612  -16.8909
            30  C8y C    25.7468  -16.1897
            31  C8x C    24.5407  -16.8902
            32  C8x C    23.3263  -16.1890
            33  C8x C    23.3263  -14.7866
            34  C8x C    24.5407  -14.0854
            35  C8x C    25.7553  -14.7866
            36  O1a O    25.7548  -20.3934
            37  O5a O    20.9053  -20.3970
            38  C1c C    19.6941  -16.4709
            39  C1a C    18.4796  -15.7697
            40  C1a C    20.9087  -15.7697
            41  C1x C    18.4846  -20.3941
            42  C1x C    17.2734  -21.0953
            43  C1x C    16.0605  -20.3970
            44  N1x N    16.0588  -18.9974
            45  C5x C    17.2700  -18.2962
            46  O5x O    17.2685  -16.8938
BOND        49
            1    21  22 1
            2    22  23 2
            3    23  24 1
            4    24  25 2
            5    25   8 1
            6    12  13 1
            7    21  26 1
            8    25  27 1
            9    13  14 1
            10   11  28 2
            11    5   7 1
            12   13  29 1 #Down
            13   14  15 1
            14   29  30 1
            15    1   2 2
            16   15  16 1
            17    2   3 1
            18   16  17 1
            19    8   9 1
            20   30  31 2
            21   31  32 1
            22   32  33 2
            23   33  34 1
            24   34  35 2
            25   35  30 1
            26   14  36 1 #Up
            27   16   7 1 #Down
            28   17  18 1
            29    3   4 2
            30   18  37 2
            31   18  19 1
            32   19  38 1 #Up
            33    9  10 1
            34   38  39 1
            35   19  20 1
            36   38  40 1
            37    4   5 1
            38   10  11 1
            39    5   6 2
            40   11  12 1
            41    6   1 1
            42   20  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  20 1
            48    8  21 2
            49   45  46 2

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