KEGG   DRUG: D00894Help
Entry
D00894                      Drug                                   
Name
Amprenavir (JAN/USAN/INN);
Agenerase (TN)
Formula
C25H35N3O6S
Exact mass
505.2247
Mol weight
505.6269
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral [HIV protease inhibitor] [DS:H00406]
Remark
Same as: 
ATC code: 
Target
HIV protease inhibitor [CPD:C19849]
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A [KO:K07424]
CYP induction: CYP3A [KO:K07424]
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
     J05AE05 Amprenavir
      D00894  Amprenavir (JAN/USAN/INN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agent
   Protease inhibitor (PIs)
    Nonpeptidic
     Amprenavir [ATC:J05AE05]
      D00894  Amprenavir (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
161814-49-9
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   C8y C    33.7400   -7.2800
            2   C8x C    33.7400   -8.6800
            3   C8x C    34.9524   -9.3800
            4   C8y C    36.1649   -8.6800
            5   C8x C    36.1649   -7.2800
            6   C8x C    34.9524   -6.5800
            7   S4a S    32.5276   -6.5800
            8   N1a N    37.3960   -9.3910
            9   N1c N    31.3321   -7.2704
            10  C1b C    30.1447   -6.5849
            11  C1c C    28.9535   -7.2729
            12  C1c C    27.7640   -6.5862
            13  N1b N    26.5739   -7.2735
            14  O3c O    33.5175   -5.5901
            15  O3c O    31.5376   -5.5901
            16  C1b C    31.3320   -9.8697
            17  O1a O    28.9535   -8.6797
            18  C7a C    25.3838   -6.5865
            19  O7a O    24.1940   -7.2737
            20  O6a O    25.3836   -5.1802
            21  C1y C    23.0038   -6.5866
            22  C1x C    23.4484   -5.2440
            23  O2x O    22.3199   -4.4094
            24  C1x C    21.1774   -5.2247
            25  C1x C    21.5998   -6.5632
            26  C1b C    27.7638   -5.1802
            27  C8y C    28.9958   -4.4686
            28  C8x C    30.2013   -5.1644
            29  C8x C    31.4137   -4.4642
            30  C8x C    31.4134   -3.0642
            31  C8x C    30.2079   -2.3684
            32  C8x C    28.9955   -3.0686
            33  C1c C    30.1406  -10.5578
            34  C1a C    28.9555   -9.8737
            35  C1a C    30.1405  -11.9697
BOND        37
            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     1   7 1
            8     4   8 1
            9     7   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    7  14 2
            15    7  15 2
            16    9  16 1
            17   11  17 1 #Up
            18   13  18 1
            19   18  19 1
            20   18  20 2
            21   21  19 1 #Up
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   21  25 1
            27   12  26 1 #Up
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   27  32 1
            35   16  33 1
            36   33  34 1
            37   33  35 1

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