KEGG   DRUG: Samatasvir
Entry
D10665                      Drug                                   
Name
Samatasvir (USAN/INN)
Formula
C47H48N8O6S2
Exact mass
884.3138
Mol weight
885.07
Structure
Class
Antiviral
 DG03198  Anti-HCV agent
  DG01999  HCV NS5A inhibitor
Efficacy
Antiviral, NS5A inhibitor
Target
HCV NS5A [KO:K22275]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05160  Hepatitis C
Brite
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG01999  HCV NS5A inhibitor
    D10665  Samatasvir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HCV NS5A/NS5B inhibitor
    D10665  Samatasvir (USAN/INN)
Other DBs
CAS: 1312547-19-5
PubChem: 254741626
LinkDB
KCF data

ATOM        63
            1   O5a O    29.1900  -18.0600
            2   C5a C    29.9600  -19.2500
            3   N1y N    31.3600  -19.1100
            4   C1y C    31.9900  -17.8500
            5   C1x C    32.4100  -20.0900
            6   C1x C    33.6000  -19.4600
            7   C1x C    33.3900  -18.0600
            8   C1c C    29.3300  -20.5100
            9   N1b N    27.9300  -20.5100
            10  C7a C    27.3000  -21.7000
            11  O6a O    28.0000  -22.9600
            12  C8y C    30.0300  -21.7000
            13  C8x C    29.3300  -22.9600
            14  C8x C    30.0300  -24.1500
            15  C8x C    31.4300  -24.1500
            16  C8x C    32.1300  -22.8900
            17  C8x C    31.4300  -21.7000
            18  N1b N    12.0400  -15.0500
            19  C7a C    10.8500  -15.7500
            20  O7a O     9.6600  -15.0500
            21  C1a C     8.4000  -15.7500
            22  O6a O    10.8500  -17.1500
            23  C1y C    14.4900  -10.7100
            24  N1y N    13.3000  -11.5500
            25  C1x C    12.1800  -10.7100
            26  C1x C    12.6000   -9.3800
            27  C1x C    14.0000   -9.3800
            28  C5a C    13.3000  -12.9500
            29  C1c C    12.0400  -13.6500
            30  O5a O    14.4900  -13.6500
            31  C1c C    10.8500  -12.8800
            32  C1a C     9.6600  -13.5800
            33  C1a C    10.8500  -11.4800
            34  C8y C    15.8900  -10.7100
            35  N4x N    16.7300  -11.8300
            36  C8y C    18.0600  -11.4100
            37  C8y C    18.0600  -10.0100
            38  N5x N    16.7300   -9.5900
            39  C8x C    19.2500  -12.1100
            40  C8y C    20.4400  -11.4100
            41  C8x C    20.4400  -10.0100
            42  C8x C    19.2500   -9.3100
            43  C8y C    21.7000  -12.1100
            44  C8x C    21.8400  -13.5100
            45  S2x S    23.1700  -13.7900
            46  C8y C    23.8700  -12.6000
            47  C8y C    22.9600  -11.5500
            48  C8y C    25.2000  -12.0400
            49  C8x C    25.0600  -10.6400
            50  S2x S    23.6600  -10.3600
            51  C8y C    26.3900  -12.7400
            52  C8x C    26.3900  -14.1400
            53  C8x C    27.5800  -14.8400
            54  C8y C    28.8400  -14.1400
            55  C8x C    28.8400  -12.7400
            56  C8x C    27.5800  -12.0400
            57  C8y C    30.0300  -14.8400
            58  N4x N    30.1700  -16.2400
            59  C8y C    31.5700  -16.5200
            60  N5x N    32.2700  -15.3300
            61  C8x C    31.2900  -14.2800
            62  O7a O    25.9000  -21.7000
            63  C1a C    25.2000  -22.9600
BOND        71
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     4   7 1
            8     2   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   12  17 1
            18    8  12 1 #Up
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   19  22 2
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  23 1
            27   24  23 1
            28   24  28 1
            29   28  29 1
            30   28  30 2
            31   31  32 1
            32   31  33 1
            33   29  31 1 #Up
            34   18  29 1
            35   23  34 1 #Up
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   37  38 1
            40   34  38 2
            41   36  39 2
            42   39  40 1
            43   40  41 2
            44   41  42 1
            45   37  42 2
            46   40  43 1
            47   43  44 2
            48   44  45 1
            49   45  46 1
            50   46  47 2
            51   43  47 1
            52   46  48 1
            53   48  49 2
            54   49  50 1
            55   47  50 1
            56   48  51 1
            57   51  52 2
            58   52  53 1
            59   53  54 2
            60   54  55 1
            61   55  56 2
            62   51  56 1
            63   54  57 1
            64   57  58 1
            65   58  59 1
            66   59  60 2
            67   60  61 1
            68   57  61 2
            69    4  59 1 #Down
            70   10  62 1
            71   62  63 1

» Japanese version   » Back

DBGET integrated database retrieval system