KEGG   DRUG: Tipranavir disodiumHelp
Entry
D03843                      Drug                                   

Name
Tipranavir disodium (USAN)
Formula
C31H31F3N2O5S. 2Na
Exact mass
646.1701
Mol weight
646.628
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antiviral
 DG01647  HIV protease inhibitor
Remark
ATC code: 
Chemical group: 
Activity
Antiviral, HIV protease inhibitor
Target
HIV protease [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
      D03843  Tipranavir disodium (USAN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors
   Tipranavir
    D03843  Tipranavir disodium (USAN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Protease inhibitor (PIs)
    Nonpeptidic
     Tipranavir
      D03843  Tipranavir disodium (USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A
   Tipranavir
    D03843  Tipranavir disodium (USAN)
 Transporter inhibitors
  SLCO1B1
   Tipranavir
    D03843  Tipranavir disodium (USAN)
BRITE hierarchy
Other DBs
CAS: 
191150-83-1
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        44
            1   C8x C    28.7000  -21.4900
            2   C8y C    28.7000  -20.0900
            3   N5x N    27.5100  -19.3900
            4   C8x C    26.2500  -20.0900
            5   C8y C    26.2500  -21.4900
            6   C8x C    27.5100  -22.1900
            7   C1d C    25.0600  -22.1900
            8   X   F    23.8000  -22.8900
            9   X   F    24.3600  -21.0000
            10  X   F    25.7600  -23.3800
            11  S4a S    29.8900  -19.3900
            12  N1b N    31.0800  -20.0900 #-
            13  O3c O    30.8700  -18.4100
            14  O3c O    28.9100  -18.4100
            15  C8y C    32.2700  -19.3900
            16  C8x C    33.4600  -20.0900
            17  C8y C    34.7200  -19.3900
            18  C8x C    34.7200  -17.9900
            19  C8x C    33.5300  -17.2900
            20  C8x C    32.2700  -17.9900
            21  C1c C    35.9100  -20.0900
            22  C2y C    37.1700  -19.3900
            23  C7x C    38.3600  -20.0900
            24  O7x O    39.6200  -19.3900
            25  C1z C    39.6200  -17.9900
            26  C1x C    38.3600  -17.2900
            27  C2y C    37.1700  -17.9900
            28  C8y C    42.4200  -15.6100
            29  C8x C    43.8200  -15.6100
            30  C8x C    44.5200  -14.4200
            31  C8x C    43.8200  -13.1600
            32  C8x C    42.4200  -13.1600
            33  C8x C    41.7200  -14.4200
            34  C1b C    41.7200  -16.8000
            35  C1b C    40.3200  -16.8000
            36  C1b C    41.0200  -17.9900
            37  C1b C    41.7200  -19.1800
            38  C1a C    43.1200  -19.1800
            39  O6a O    38.3600  -21.4900
            40  O1a O    35.9800  -17.2900 #-
            41  C1b C    35.9100  -21.4900
            42  C1a C    34.6500  -22.1900
            43  Z   Na   30.9400  -21.7700 #+
            44  Z   Na   35.7700  -15.1200 #+
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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