KEGG   DRUG: Tipranavir
Entry
D08605                      Drug                                   

Name
Tipranavir (INN);
Aptivus (TN)
Product
Formula
C31H33F3N2O5S
Exact mass
602.2062
Mol weight
602.6643
Structure
Simcomp
Class
Antiviral
 DG01647  HIV protease inhibitor
Remark
ATC code: J05AE09
Chemical structure group: DG00658
Product (DG00658): D08605<US>
Efficacy
Antiviral, HIV protease inhibitor
  Disease
HIV-1 infection [DS:H01563]
Comment
Nonpeptidic
Target
HIV protease [KO:K22599]
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
      D08605  Tipranavir (INN) <US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors (PI)
   Tipranavir
    D08605  Tipranavir (INN)
Antiinfectives [BR:br08307]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    D08605  Tipranavir (INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D08605
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08605
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D08605
Other DBs
CAS: 174484-41-4
PubChem: 96025289
ChEBI: 63628
ChEMBL: CHEMBL222559
DrugBank: DB00932
PDB-CCD: TPV[PDBj]
LigandBox: D08605
KCF data

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

» Japanese version   » Back

  All links  
Ontology (6)   
   KEGG BRITE (6)   
Pathway (2)   
   KEGG PATHWAY (2)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (4)   
   KEGG DGROUP (1)   
   CHEMBL (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (1)   
   KEGG ORTHOLOGY (1)   
All databases (17)   

Download RDF
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
 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]
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)
Antiinfectives [BR:br08307]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    D03843  Tipranavir disodium (USAN)
Other DBs
CAS: 191150-83-1
PubChem: 17397929
ChEMBL: CHEMBL2103936
DrugBank: DB00932
LigandBox: D03843
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

» Japanese version   » Back

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Ontology (2)   
   KEGG BRITE (2)   
Pathway (2)   
   KEGG PATHWAY (2)   
Drug (4)   
   KEGG DGROUP (1)   
   CHEMBL (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (1)   
   PubChem (1)   
Gene (1)   
   KEGG ORTHOLOGY (1)   
All databases (10)   

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