KEGG   DRUG: Tipranavir disodium
Entry
D03843                      Drug                                   
Name
Tipranavir disodium (USAN)
Formula
C31H31F3N2O5S. 2Na
Exact mass
646.1701
Mol weight
646.628
Structure
Simcomp
Class
Antiviral
 DG03107  Anti-HIV agent
  DG01647  HIV protease inhibitor
Remark
ATC code: J05AE09
Chemical structure group: DG00658
Product (DG00658): D08605<US>
Efficacy
Antiviral, HIV protease inhibitor
Target
HIV protease [KO:K22599]
  Pathway
ko03230  Viral genome structure
ko03250  Viral life cycle - HIV-1
Interaction
Structure map
map07053  Anti-HIV agents
map07218  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)
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG01647  HIV protease inhibitor
    DG00658  Tipranavir
     D03843  Tipranavir disodium
Antimicrobials [BR:br08307]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    D03843  Tipranavir disodium (USAN)
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG01647  HIV protease inhibitor
    DG00658  Tipranavir
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    DG00658  Tipranavir
Other DBs
CAS: 191150-83-1
PubChem: 17397929
LigandBox: D03843
LinkDB
KCF data

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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