KEGG   DRUG: D08605Help
Entry
D08605                      Drug                                   

Name
Tipranavir (INN);
Aptivus (TN)
Product
Formula
C31H33F3N2O5S
Exact mass
602.2062
Mol weight
602.6643
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral;
HIV protease inhibitor;
Nonpeptidic [DS:H00406]
Remark
ATC code: 
Drug group: 
Target
HIV protease inhibitor [CPD:C19849]
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Transporter inhibition: SLCO1B1 [HSA:10599]
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
     J05AE09 Tipranavir
      D08605  Tipranavir (INN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors
   Tipranavir
    D08605  Tipranavir (INN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Protease inhibitor (PIs)
    Nonpeptidic
     Tipranavir
      D08605  Tipranavir (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A
   Tipranavir
    D08605  Tipranavir (INN)
BRITE hierarchy
Other DBs
CAS: 
174484-41-4
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        42
            1   C8x C    18.7600  -21.1400
            2   C8y C    18.7600  -19.7400
            3   N5x N    17.5700  -19.0400
            4   C8x C    16.3100  -19.7400
            5   C8y C    16.3100  -21.1400
            6   C8x C    17.5700  -21.8400
            7   C1d C    15.1200  -21.8400
            8   X   F    13.8600  -22.5400
            9   X   F    14.4200  -20.6500
            10  X   F    15.8200  -23.0300
            11  S4a S    19.9500  -19.0400
            12  N1b N    21.1400  -19.7400
            13  O3c O    20.9300  -18.0600
            14  O3c O    18.9700  -18.0600
            15  C8y C    22.3300  -19.0400
            16  C8x C    23.5200  -19.7400
            17  C8y C    24.7800  -19.0400
            18  C8x C    24.7800  -17.6400
            19  C8x C    23.5900  -16.9400
            20  C8x C    22.3300  -17.6400
            21  C1c C    25.9700  -19.7400
            22  C2y C    27.2300  -19.0400
            23  C7x C    28.3500  -19.7400
            24  O7x O    29.6100  -19.0400
            25  C1z C    29.6100  -17.6400
            26  C1x C    28.3500  -16.9400
            27  C2y C    27.2300  -17.6400
            28  C8y C    32.4100  -15.2600
            29  C8x C    33.8100  -15.2600
            30  C8x C    34.5100  -14.0700
            31  C8x C    33.8100  -12.8100
            32  C8x C    32.4100  -12.8100
            33  C8x C    31.7100  -14.0700
            34  C1b C    31.7100  -16.4500
            35  C1b C    30.3100  -16.4500
            36  C1b C    31.0100  -17.6400
            37  C1b C    31.7100  -18.8300
            38  C1a C    33.1100  -18.8300
            39  O6a O    28.3500  -21.1400
            40  O1a O    26.0400  -16.9400
            41  C1b C    25.9700  -21.1400
            42  C1a C    24.7100  -21.8400
BOND        45
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     7   9 1
            10    7  10 1
            11    2  11 1
            12   11  12 1
            13   11  13 2
            14   11  14 2
            15   12  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   17  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   22  27 2
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   28  33 1
            36   28  34 1
            37   34  35 1
            38   25  35 1 #Up
            39   25  36 1 #Down
            40   36  37 1
            41   37  38 1
            42   23  39 2
            43   27  40 1
            44   21  41 1 #Down
            45   41  42 1

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