KEGG   DRUG: D03840Help
Entry
D03840                      Drug                                   

Name
Palinavir (USAN/INN)
Formula
C41H52N6O5
Exact mass
708.3999
Mol weight
708.8888
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral [DS:H00406]
Target
HIV protease inhibitor [CPD:C19849]
Interaction
Drug interaction
Brite
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Protease inhibitor (PIs)
    Peptidic
     Palinavir
      D03840  Palinavir (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
154612-39-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        52
            1   C8x C    21.8763  -17.2540
            2   C8x C    21.8763  -18.6570
            3   C8x C    23.0688  -19.3585
            4   C8y C    24.3315  -18.6570
            5   C8y C    24.3315  -17.2540
            6   C8x C    23.0688  -16.5525
            7   N5x N    25.5240  -19.3585
            8   C8y C    26.7165  -18.6570
            9   C8x C    26.7165  -17.2540
            10  C8x C    25.5240  -16.5525
            11  C5a C    27.9091  -19.3585
            12  N1b N    29.1718  -18.6570
            13  C1c C    30.3643  -19.3585
            14  C5a C    31.5568  -18.6570
            15  N1b N    32.8195  -19.3585
            16  C1c C    34.0121  -18.6570
            17  C1c C    35.2046  -19.3585
            18  C1b C    36.4673  -18.6570
            19  N1y N    37.6598  -19.3585
            20  O5a O    27.9091  -20.7615
            21  C1c C    30.3643  -20.7615
            22  C1a C    31.5568  -21.4630
            23  C1a C    29.1718  -21.4630
            24  O5a O    31.5568  -17.2540
            25  C1b C    34.0121  -17.2540
            26  C8y C    35.2046  -16.5525
            27  O1a O    35.2046  -20.7615
            28  C1x C    37.6598  -20.7615
            29  C1x C    38.8524  -21.4630
            30  C1y C    40.1150  -20.7615
            31  C1x C    40.1150  -19.3585
            32  C1y C    38.8524  -18.6570
            33  O2a O    41.3076  -21.4630
            34  C1b C    42.5001  -20.7615
            35  C8y C    43.6926  -21.4630
            36  C8x C    43.6926  -22.8659
            37  C8x C    44.9553  -23.5674
            38  N5x N    46.1479  -22.8659
            39  C8x C    46.1479  -21.4630
            40  C8x C    44.9553  -20.7615
            41  C5a C    38.8524  -17.2540
            42  C8x C    36.4673  -15.8510
            43  C8x C    36.4673  -14.4480
            44  C8x C    35.2747  -13.7466
            45  C8x C    34.0822  -14.4480
            46  C8x C    34.0822  -15.8510
            47  N1b N    40.0449  -16.5525
            48  O5a O    37.6598  -16.5525
            49  C1d C    41.2374  -17.2540
            50  C1a C    42.4300  -16.5525
            51  C1a C    41.2374  -18.6570
            52  C1a C    42.5001  -17.9555
BOND        56
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   11  20 2
            22   13  21 1 #Down
            23   21  22 1
            24   21  23 1
            25   14  24 2
            26   16  25 1 #Up
            27   25  26 1
            28   17  27 1 #Up
            29   19  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   19  32 1
            35   30  33 1 #Down
            36   33  34 1
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   38  39 1
            42   39  40 2
            43   35  40 1
            44   32  41 1 #Down
            45   26  42 2
            46   42  43 1
            47   43  44 2
            48   44  45 1
            49   45  46 2
            50   46  26 1
            51   41  47 1
            52   41  48 2
            53   47  49 1
            54   49  50 1
            55   49  51 1
            56   49  52 1

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