KEGG   DRUG: OmbitasvirHelp
Entry
D10576                      Drug                                   

Name
Ombitasvir (USAN)
Formula
C50H67N7O8
Exact mass
893.5051
Mol weight
894.1091
Structure
Mol fileKCF fileDB search
Class
Antiviral
 DG01999  NS5A inhibitor
Remark
Chemical structure group: DG01819
Product (mixture): D10582<US> D10745<JP/US>
Efficacy
Antiviral, NS5A inhibitor
Comment
Treatment of hepatitis C
Target
HCV NS5A [KO:K22275]
  Pathway
ko05160  Hepatitis C
Other DBs
CAS: 1258226-87-7
PubChem: 254741538
ChEBI: 85183
ChEMBL: CHEMBL3127326
LinkDB All DBs
KCF data Show

ATOM        65
            1   C8x C    17.3924  -13.9642
            2   C8x C    17.3924  -15.3609
            3   C8y C    18.5796  -16.0593
            4   C8x C    19.8367  -15.3609
            5   C8x C    19.8367  -13.9642
            6   C8y C    18.5796  -13.2658
            7   N1y N    18.5796  -17.4560
            8   C1d C    18.5796  -11.8691
            9   C1a C    18.5796  -10.4723
            10  C1a C    17.1829  -11.8691
            11  C1a C    19.9764  -11.8691
            12  C1y C    17.4622  -18.2941
            13  C1x C    17.8813  -19.6210
            14  C1x C    19.2780  -19.6210
            15  C1y C    19.7669  -18.2941
            16  C8x C    20.9541  -16.1990
            17  C8y C    20.9541  -17.5957
            18  C8x C    22.1413  -18.2941
            19  C8x C    23.3984  -17.5957
            20  C8y C    23.3984  -16.1990
            21  C8x C    22.1413  -15.5006
            22  C8y C    13.8307  -16.1990
            23  C8x C    13.8307  -17.5957
            24  C8x C    15.0179  -18.2941
            25  C8y C    16.2750  -17.5957
            26  C8x C    16.2750  -16.1990
            27  C8x C    15.0179  -15.5006
            28  N1b N    12.6435  -15.5006
            29  C5a C    11.4562  -16.1990
            30  C1y C    10.2690  -15.5006
            31  O5a O    11.4562  -17.5957
            32  N1y N     9.0818  -16.3387
            33  C1x C     7.9644  -15.5006
            34  C1x C     8.3834  -14.1737
            35  C1x C     9.7801  -14.1737
            36  C5a C     9.0818  -17.7354
            37  C1c C     7.8247  -18.4338
            38  O5a O    10.2690  -18.4338
            39  C1c C     6.6375  -17.6656
            40  C1a C     5.4502  -18.3639
            41  C1a C     6.6375  -16.2688
            42  N1b N     7.8247  -19.8305
            43  C7a C     6.6375  -20.5289
            44  O7a O     5.4502  -19.8305
            45  C1a C     4.1932  -20.5289
            46  O6a O     6.6375  -21.9256
            47  N1b N    24.5856  -15.5006
            48  C5a C    25.7729  -16.1990
            49  C1y C    26.9601  -15.5006
            50  O5a O    25.7729  -17.5957
            51  N1y N    28.1473  -16.3387
            52  C1x C    29.2647  -15.5006
            53  C1x C    28.8457  -14.1737
            54  C1x C    27.4490  -14.1737
            55  C5a C    28.1473  -17.7354
            56  C1c C    29.4044  -18.4338
            57  O5a O    26.9601  -18.4338
            58  C1c C    30.5916  -17.6656
            59  C1a C    31.7789  -18.3639
            60  C1a C    30.5916  -16.2688
            61  N1b N    29.4044  -19.8305
            62  C7a C    30.5916  -20.5289
            63  O7a O    31.7789  -19.8305
            64  C1a C    33.0359  -20.5289
            65  O6a O    30.5916  -21.9256
BOND        70
            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     3   7 1
            8     6   8 1
            9     8   9 1
            10    8  10 1
            11    8  11 1
            12    7  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    7  15 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23   15  17 1 #Down
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   12  25 1 #Up
            31   22  28 1
            32   28  29 1
            33   30  29 1 #Up
            34   29  31 2
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  30 1
            39   32  30 1
            40   32  36 1
            41   36  37 1
            42   36  38 2
            43   37  39 1
            44   39  40 1
            45   39  41 1
            46   37  42 1 #Up
            47   42  43 1
            48   43  44 1
            49   44  45 1
            50   43  46 2
            51   47  48 1
            52   49  48 1 #Down
            53   48  50 2
            54   51  52 1
            55   52  53 1
            56   53  54 1
            57   54  49 1
            58   51  49 1
            59   51  55 1
            60   55  56 1
            61   55  57 2
            62   56  58 1
            63   58  59 1
            64   58  60 1
            65   56  61 1 #Down
            66   61  62 1
            67   62  63 1
            68   63  64 1
            69   62  65 2
            70   47  20 1

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