KEGG   DRUG: Filibuvir
Entry
D09616                      Drug                                   
Name
Filibuvir (USAN/INN)
Formula
C29H37N5O3
Exact mass
503.2896
Mol weight
503.64
Structure
Class
Antiviral
 DG03198  Anti-HCV agent
  DG02000  HCV NS5B polymerase inhibitor
Efficacy
Antiviral, NS5B polymerase inhibitor
Comment
HCV NS5B is RNA-dependent RNA polymerase(RdRP).
Treatment of Hepatitis C infection
Target
HCV NS5B polymerase [KO:K22472]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05160  Hepatitis C
Brite
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG02000  HCV NS5B polymerase inhibitor
    D09616  Filibuvir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HCV NS5A/NS5B inhibitor
    D09616  Filibuvir (USAN/INN)
Other DBs
CAS: 877130-28-4
PubChem: 124490356
ChEBI: 177773
PDB-CCD: AG0[PDBj]
LigandBox: D09616
LinkDB
KCF data

ATOM        37
            1   C8y C    13.7900  -16.3100
            2   C8x C    13.7900  -17.7100
            3   C8y C    14.9800  -18.4100
            4   N4y N    16.2400  -17.7100
            5   C8y C    16.2400  -16.3100
            6   N5x N    14.9800  -15.6100
            7   N5x N    17.5700  -18.1300
            8   C8y C    18.3400  -17.0100
            9   N5x N    17.5700  -15.8900
            10  C1b C    19.7400  -17.0100
            11  C2y C    20.4400  -18.2000
            12  C7x C    19.7400  -19.3900
            13  O7x O    20.4400  -20.6500
            14  C1z C    21.8400  -20.6500
            15  C1x C    22.5400  -19.4600
            16  C2y C    21.8400  -18.2000
            17  O6a O    18.3400  -19.3900
            18  O1a O    22.5400  -17.0100
            19  C1b C    23.0300  -21.3500
            20  C1b C    24.2200  -20.6500
            21  C8y C    25.4100  -21.3500
            22  C8x C    25.4100  -22.7500
            23  C8y C    26.6700  -23.4500
            24  N5x N    27.8600  -22.7500
            25  C8y C    27.8600  -21.3500
            26  C8x C    26.6700  -20.6500
            27  C1b C    26.6700  -24.8500
            28  C1b C    29.0500  -20.6500
            29  C1a C    30.2400  -21.3500
            30  C1y C    21.8400  -22.0500
            31  C1x C    20.7074  -22.8729
            32  C1x C    21.1400  -24.2044
            33  C1x C    22.5400  -24.2044
            34  C1x C    22.9726  -22.8729
            35  C1a C    25.4576  -25.5500
            36  C1a C    14.9628  -19.8099
            37  C1a C    12.5747  -15.6149
BOND        41
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 2
            19   12  17 2
            20   16  18 1
            21   14  19 1 #Up
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   23  27 1
            31   25  28 1
            32   28  29 1
            33   14  30 1 #Down
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   30  34 1
            39   27  35 1
            40    3  36 1
            41    1  37 1

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