KEGG   DRUG: D10093Help
Entry
D10093                      Drug                                   

Name
Asunaprevir (JAN/USAN);
Sunvepra (TN)
Formula
C35H46ClN5O9S
Exact mass
747.2705
Mol weight
748.2858
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of hepatitis C [DS:H00413]
Remark
Therapeutic category: 
Target
HCV NS3 protease inhibitor [CPD:C18290]
  Pathway
ko05160  Hepatitis C  
 
Interaction
Drug interaction
Structure map
Antiviral agents
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D10093  Asunaprevir (JAN/USAN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HCV agents
   Protease inhibitor (PI)
    NS3 protease inhibitor
     Asunaprevir
      D10093  Asunaprevir (USAN)
BRITE hierarchy
Other DBs
CAS: 
630420-16-5
PubChem: 
PDB-CCD: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        51
            1   C8y C    14.3982  -18.8068
            2   C8y C    14.3982  -20.1980
            3   C8y C    15.5807  -20.8935
            4   C8x C    16.8327  -20.1980
            5   N5x N    16.8327  -18.8068
            6   C8y C    15.5807  -18.1113
            7   C8x C    13.2158  -18.1113
            8   C8y C    11.9637  -18.8068
            9   C8x C    11.9637  -20.1980
            10  C8x C    13.2158  -20.8935
            11  X   Cl   10.7813  -18.1113
            12  O2a O    15.5807  -22.2847
            13  C1a C    14.3982  -22.9802
            14  O2a O    15.5807  -16.7201
            15  C1y C    16.7631  -16.0246
            16  C1x C    18.0847  -16.4419
            17  C1y C    18.8498  -15.3290
            18  N1y N    18.0152  -14.2161
            19  C1x C    16.7631  -14.7030
            20  C5a C    20.2410  -15.2594
            21  O5a O    20.9365  -16.4419
            22  N1b N    20.9365  -14.0770
            23  C1z C    23.0928  -14.0770
            24  C5a C    18.0152  -12.8250
            25  O5a O    19.1976  -12.1294
            26  C1c C    16.8327  -12.1294
            27  N1b N    15.6502  -12.8250
            28  C7a C    14.4678  -12.1294
            29  O7a O    13.2853  -12.8250
            30  O6a O    14.4678  -10.7383
            31  C1d C    12.1029  -12.1294
            32  C1a C    10.9204  -12.8250
            33  C1a C    12.1029  -10.7383
            34  C1a C    10.8508  -11.4338
            35  C1d C    16.8327  -10.7383
            36  C1a C    15.6502  -10.0427
            37  C1a C    18.0152  -10.0427
            38  C1a C    16.8327   -9.3471
            39  C1x C    24.3448  -14.8421
            40  C1y C    24.3448  -13.4510
            41  C2b C    25.1099  -12.2685
            42  C2a C    26.5011  -12.2685
            43  C5a C    23.0928  -15.4681
            44  O5a O    24.2753  -16.1637
            45  N1b N    21.9103  -16.1637
            46  S4a S    21.9103  -17.5548
            47  O3c O    23.3015  -17.5548
            48  O3c O    20.5192  -17.5548
            49  C1y C    21.9103  -18.9460
            50  C1x C    21.2148  -20.1284
            51  C1x C    22.6059  -20.1284
BOND        55
            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     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    8  11 1
            13    3  12 1
            14   12  13 1
            15    6  14 1
            16   15  14 1 #Up
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   15  19 1
            22   17  20 1 #Down
            23   20  21 2
            24   20  22 1
            25   22  23 1
            26   18  24 1
            27   24  25 2
            28   26  24 1 #Up
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   28  30 2
            33   29  31 1
            34   31  32 1
            35   31  33 1
            36   31  34 1
            37   26  35 1
            38   35  36 1
            39   35  37 1
            40   35  38 1
            41   23  39 1
            42   39  40 1
            43   40  23 1
            44   40  41 1 #Down
            45   41  42 2
            46   23  43 1 #Down
            47   43  44 2
            48   43  45 1
            49   45  46 1
            50   46  47 2
            51   46  48 2
            52   46  49 1
            53   50  51 1
            54   51  49 1
            55   49  50 1

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