KEGG   DRUG: D10166Help
Entry
D10166                      Drug                                   

Name
Sovaprevir (USAN)
Formula
C43H53N5O8S
Exact mass
799.3615
Mol weight
799.9746
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of hepatitis C [DS:H00413]
Comment
Peptidomimetics
Target
HCV NS3 protease inhibitor [CPD:C18290]
  Pathway
ko05160  Hepatitis C  
 
Brite
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HCV agents
   Protease inhibitor (PI)
    NS3 protease inhibitor
     Sovaprevir
      D10166  Sovaprevir (USAN)
BRITE hierarchy
Other DBs
CAS: 
1001667-23-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        57
            1   O2a O    20.0200  -23.3800
            2   C1y C    21.1400  -22.6800
            3   C1x C    22.4700  -23.1000
            4   C1y C    23.2400  -21.9800
            5   N1y N    22.4000  -20.8600
            6   C1x C    21.1400  -21.3500
            7   C5a C    24.6400  -21.9100
            8   O5a O    25.3400  -23.1000
            9   N1b N    25.3400  -20.7200
            10  C1z C    27.5100  -20.7200
            11  C5a C    22.4000  -19.4600
            12  O5a O    23.5900  -18.7600
            13  C1c C    21.2100  -18.7600
            14  C1b C    20.0900  -19.4600
            15  C5a C    18.9000  -18.7600
            16  O5a O    18.9000  -17.3600
            17  C1d C    21.2100  -17.3600
            18  C1a C    20.0900  -16.6600
            19  C1a C    22.4000  -16.6600
            20  C1a C    21.2100  -16.0300
            21  C1x C    28.7700  -21.4900
            22  C1y C    28.7700  -20.0900
            23  C5a C    27.5100  -22.1200
            24  O5a O    28.7000  -22.8200
            25  N1b N    26.3200  -22.8200
            26  S4a S    26.3200  -24.2200
            27  O3c O    27.7200  -24.2200
            28  O3c O    24.9200  -24.2200
            29  C1y C    26.3200  -25.6200
            30  C1x C    25.6200  -26.8100
            31  C1x C    27.0200  -26.8100
            32  C2b C    29.5060  -18.8991
            33  C2a C    30.9060  -18.8991
            34  N1y N    17.6847  -19.4551
            35  C1x C    16.4963  -18.7623
            36  C1x C    15.2809  -19.4572
            37  C1x C    15.2751  -20.8572
            38  C1x C    16.4636  -21.5500
            39  C1x C    17.6789  -20.8551
            40  C8y C    20.0200  -24.7800
            41  C8y C    18.8076  -25.4800
            42  C8y C    18.8076  -26.8800
            43  N5x N    20.0200  -27.5800
            44  C8y C    21.2324  -26.8800
            45  C8x C    21.2324  -25.4800
            46  C8x C    17.5951  -24.7800
            47  C8x C    16.3827  -25.4800
            48  C8y C    16.3827  -26.8800
            49  C8x C    17.5951  -27.5800
            50  C8y C    22.4279  -27.5704
            51  C8x C    22.4280  -28.9797
            52  C8x C    23.6404  -29.6797
            53  C8x C    24.8528  -28.9797
            54  C8x C    24.8528  -27.5703
            55  C8x C    23.6404  -26.8704
            56  O2a O    15.1682  -27.5812
            57  C1a C    13.9717  -26.8902
BOND        63
            1     2   1 1 #Up
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   6 1
            7     4   7 1 #Down
            8     7   8 2
            9     7   9 1
            10    9  10 1
            11    5  11 1
            12   11  12 2
            13   13  11 1 #Up
            14   13  14 1
            15   14  15 1
            16   15  16 2
            17   13  17 1
            18   17  18 1
            19   17  19 1
            20   17  20 1
            21   10  21 1
            22   21  22 1
            23   22  10 1
            24   10  23 1 #Down
            25   23  24 2
            26   23  25 1
            27   25  26 1
            28   26  27 2
            29   26  28 2
            30   26  29 1
            31   30  31 1
            32   31  29 1
            33   29  30 1
            34   22  32 1 #Down
            35   32  33 2
            36   15  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   34  39 1
            43    1  40 1
            44   40  41 2
            45   41  42 1
            46   42  43 2
            47   43  44 1
            48   44  45 2
            49   40  45 1
            50   41  46 1
            51   46  47 2
            52   47  48 1
            53   48  49 2
            54   42  49 1
            55   44  50 1
            56   50  51 2
            57   51  52 1
            58   52  53 2
            59   53  54 1
            60   54  55 2
            61   50  55 1
            62   48  56 1
            63   56  57 1

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