KEGG   DRUG: D10165Help
Entry
D10165                      Drug                                   

Name
Setrobuvir (USAN)
Formula
C25H25FN4O6S2
Exact mass
560.12
Mol weight
560.6176
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of hepatitis C [DS:H00413]
Comment
HCV NS5B is RNA-dependent RNA polymerase(RdRP).
Target
NS5B polymerase inhibitor
  Pathway
map05160  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: 
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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