KEGG   DRUG: D09884Help
Entry
D09884                      Drug                                   

Name
Danoprevir (USAN/INN)
Formula
C35H46FN5O9S
Exact mass
731.3
Mol weight
731.8312
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of hepatitis C
Target
NS3/4A protease inhibitor
Structure map
Antiviral agents
Other DBs
CAS: 
850876-88-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        51
            1   C1y C    24.7100  -28.9800
            2   C1x C    25.9000  -29.4700
            3   C1y C    26.8100  -28.4900
            4   N1y N    26.1100  -27.3000
            5   C1x C    24.8500  -27.5800
            6   C5x C    28.2100  -28.4900
            7   N1x N    28.9100  -27.3700
            8   O5x O    28.2100  -26.1100
            9   C5x C    26.8100  -26.1100
            10  O5x O    28.9800  -29.6100
            11  C1x C    28.1400  -23.7300
            12  C1x C    26.7400  -23.7300
            13  C1y C    26.0400  -24.8500
            14  C1x C    30.8000  -23.6600
            15  C1x C    30.1700  -22.4700
            16  C1x C    28.8400  -22.4700
            17  C1y C    32.1300  -26.3900
            18  C2x C    32.9000  -25.0600
            19  C2x C    32.2000  -23.6600
            20  C1z C    31.1500  -27.3700
            21  C1x C    32.4100  -27.7200
            22  C5a C    31.2200  -28.7700
            23  N1b N    30.1700  -29.4700
            24  O5a O    32.4100  -29.4000
            25  C7a C    23.1000  -31.0100
            26  O6a O    24.2900  -31.6400
            27  O7a O    23.1000  -29.6100
            28  N1b N    24.6400  -24.8500
            29  C7a C    23.9400  -23.6600
            30  O7a O    22.6100  -23.6600
            31  O6a O    24.6400  -22.4700
            32  C1d C    21.9800  -24.8500
            33  C1a C    20.6500  -24.8500
            34  C1a C    22.4700  -26.1800
            35  N1y N    21.9100  -31.7100
            36  C1x C    20.5800  -31.2200
            37  C8y C    19.6700  -32.2700
            38  C8y C    20.4400  -33.4600
            39  C1x C    21.7700  -33.1100
            40  C8x C    18.2700  -32.2700
            41  C8x C    17.6400  -33.4600
            42  C8x C    18.3400  -34.7200
            43  C8y C    19.7400  -34.7200
            44  X   F    20.4400  -35.9100
            45  S4a S    30.1700  -30.8700
            46  C1y C    30.1700  -32.2700
            47  O3c O    31.5700  -30.8700
            48  O3c O    28.7700  -30.8700
            49  C1x C    29.4700  -33.4600
            50  C1x C    30.8700  -33.4600
            51  C1a C    21.2800  -26.0400
BOND        56
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 1
            7     8   9 2
            8     4   9 1
            9     6  10 2
            10   11  12 1
            11   12  13 1
            12   13   9 1
            13   14  15 1
            14   11  16 1
            15   18  19 2
            16   14  19 1
            17   17  20 1
            18   20  21 1
            19   21  17 1
            20   20  22 1 #Down
            21   22  23 1
            22   22  24 2
            23   20   7 1
            24   18  17 1
            25   25  26 2
            26   25  27 1
            27    1  27 1 #Up
            28    3   6 1
            29   16  15 1
            30   13  28 1 #Up
            31   28  29 1
            32   29  30 1
            33   29  31 2
            34   30  32 1
            35   32  33 1
            36   32  34 1
            37   25  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 2
            41   38  39 1
            42   35  39 1
            43   37  40 1
            44   40  41 2
            45   41  42 1
            46   42  43 2
            47   38  43 1
            48   43  44 1
            49   23  45 1
            50   45  46 1
            51   45  47 2
            52   45  48 2
            53   49  50 1
            54   50  46 1
            55   46  49 1
            56   32  51 1

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