KEGG   DRUG: SetrobuvirHelp
Entry
D10165                      Drug                                   

Name
Setrobuvir (USAN)
Formula
C25H25FN4O6S2
Exact mass
560.12
Mol weight
560.6176
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antiviral
 DG02000  NS5B inhibitor
Activity
Antiviral, NS5B polymerase inhibitor
Comment
HCV NS5B is RNA-dependent RNA polymerase(RdRP).
Treatment of hepatitis C
Target
NS5B polymerase
  Pathway
Hepatitis C
Brite
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HCV agents
   Polymerase inhibitor
    NS5B polymerase inhibitor
     Setrobuvir
      D10165  Setrobuvir (USAN)
BRITE hierarchy
Other DBs
CAS: 
1071517-39-9
PubChem: 
ChEMBL: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        38
            1   C8y C    15.1200  -18.2700
            2   C8y C    15.1200  -19.6700
            3   N4x N    16.3324  -20.3700
            4   C8y C    17.5449  -19.6700
            5   N5x N    17.5449  -18.2700
            6   S2x S    16.3324  -17.5700
            7   C8x C    13.9076  -17.5700
            8   C8y C    12.6951  -18.2700
            9   C8x C    12.6951  -19.6700
            10  C8x C    13.9076  -20.3700
            11  N1b N    11.4640  -17.5590
            12  S4a S    10.2588  -18.2547
            13  C1a C     9.0765  -17.5719
            14  O3c O     9.5588  -19.4671
            15  O3c O    10.8312  -19.4670
            16  O3c O    17.0324  -16.3576
            17  O3c O    15.6324  -16.3576
            18  C2y C    18.7760  -20.3810
            19  C5x C    18.7757  -21.7699
            20  N1y N    19.9880  -22.4702
            21  C1y C    21.2006  -21.7705
            22  C1y C    21.2009  -20.3816
            23  C2y C    19.9886  -19.6813
            24  C1y C    22.4128  -22.4707
            25  C1x C    23.6254  -21.7710
            26  C1x C    23.6257  -20.3821
            27  C1y C    22.4135  -19.6819
            28  O5x O    17.5513  -22.4765
            29  C1b C    19.9877  -23.8696
            30  C8y C    18.7994  -24.5557
            31  C8x C    17.6161  -23.8725
            32  C8x C    16.4037  -24.5724
            33  C8y C    16.4036  -25.9724
            34  C8x C    17.5869  -26.6556
            35  C8x C    18.7994  -25.9557
            36  X   F    15.1747  -26.6821
            37  O1a O    19.9887  -18.2704
            38  C1x C    21.7128  -21.1183
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     1   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 2
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   12  14 2
            16   12  15 2
            17    6  16 2
            18    6  17 2
            19    4  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 2
            26   21  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   19  28 2
            32   20  29 1
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   30  35 1
            40   33  36 1
            41   23  37 1
            42   24  38 1 #Down
            43   27  38 1 #Down

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