KEGG   DRUG: VelpatasvirHelp
Entry
D10806                      Drug                                   

Name
Velpatasvir (JAN/USAN/INN)
Formula
C49H54N8O8
Exact mass
882.4065
Mol weight
883.0019
Structure
Mol fileKCF fileDB search
Class
Antiviral
 DG01999  NS5A inhibitor
Remark
Product (mixture): D10900<US> D10827<US>
Efficacy
Antiviral, NS5A inhibitor
Comment
Treatment of hepatitis C infection
Target
HCV NS5A [KO:K22275]
  Pathway
ko05160  Hepatitis C
Other DBs
CAS: 1377049-84-7
PubChem: 319075066
ChEMBL: CHEMBL3545062
LinkDB All DBs
KCF data Show

ATOM        65
            1   N1b N    28.4555  -21.2870
            2   C7a C    27.2676  -21.9858
            3   O7a O    26.0798  -21.2870
            4   C1a C    24.8220  -21.9858
            5   O6a O    27.2676  -23.4531
            6   C1y C    30.9011  -16.9548
            7   N1y N    29.7132  -17.7933
            8   C1y C    28.5952  -16.9548
            9   C1x C    29.0145  -15.6272
            10  C1x C    30.4120  -15.6272
            11  C5a C    29.7132  -19.1908
            12  C1c C    28.4555  -19.8896
            13  O5a O    30.9011  -19.8896
            14  C1c C    27.2676  -19.1209
            15  C1a C    26.0798  -19.8197
            16  C1a C    27.2676  -17.7235
            17  C8y C    32.2986  -16.9548
            18  N4x N    33.1371  -18.0728
            19  C8y C    34.4647  -17.6536
            20  C8y C    34.4647  -16.2561
            21  N5x N    33.1371  -15.8369
            22  C8y C    35.7224  -18.3523
            23  C8y C    36.9103  -17.6536
            24  C8x C    36.9103  -16.2561
            25  C8x C    35.7224  -15.5574
            26  C1a C    27.1978  -16.7452
            27  C8x C    35.7224  -19.7498
            28  C8y C    36.9801  -20.4485
            29  C8y C    38.0980  -19.7498
            30  C8x C    38.0981  -18.3523
            31  O2x O    36.9801  -21.8460
            32  C1x C    38.1680  -22.5448
            33  C8y C    39.3558  -21.8460
            34  C8y C    39.3558  -20.4485
            35  C8x C    40.6136  -22.5448
            36  C8y C    41.8014  -21.7762
            37  C8x C    41.8014  -20.3787
            38  C8x C    40.5437  -19.7498
            39  C8y C    42.9893  -22.4749
            40  O5a O    42.1508  -25.7590
            41  C5a C    42.9194  -26.8071
            42  N1y N    44.3169  -26.8071
            43  C1y C    44.9458  -25.5494
            44  C1x C    45.3650  -27.7853
            45  C1y C    46.5529  -27.1565
            46  C1x C    46.3433  -25.7590
            47  C1c C    42.2906  -28.2046
            48  N1b N    40.8931  -28.2046
            49  C7a C    40.2642  -29.3924
            50  O6a O    40.9630  -30.5803
            51  C8y C    42.9893  -29.3924
            52  C8x C    42.2906  -30.5803
            53  C8x C    42.9893  -31.7681
            54  C8x C    44.3868  -31.7681
            55  C8x C    45.0855  -30.5104
            56  C8x C    44.3868  -29.3924
            57  N4x N    43.1290  -23.8724
            58  C8y C    44.5265  -24.1519
            59  N5x N    45.2253  -22.9640
            60  C8x C    44.2470  -21.9159
            61  O7a O    38.8667  -29.3924
            62  C1a C    38.1680  -30.5803
            63  C1b C    47.8106  -27.7853
            64  O2a O    48.9985  -27.0167
            65  C1a C    50.2562  -27.6456
BOND        73
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 2
            5     7   8 1
            6     8   9 1
            7     9  10 1
            8    10   6 1
            9     7   6 1
            10    7  11 1
            11   11  12 1
            12   11  13 2
            13   14  15 1
            14   14  16 1
            15   12  14 1 #Up
            16    1  12 1
            17    6  17 1 #Up
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   17  21 2
            23   19  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   20  25 1
            28    8  26 1 #Up
            29   22  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   23  30 1
            34   28  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   29  34 1
            39   33  35 2
            40   35  36 1
            41   36  37 2
            42   37  38 1
            43   34  38 2
            44   36  39 1
            45   40  41 2
            46   41  42 1
            47   42  43 1
            48   42  44 1
            49   44  45 1
            50   45  46 1
            51   43  46 1
            52   41  47 1
            53   47  48 1 #Up
            54   48  49 1
            55   49  50 2
            56   51  52 2
            57   52  53 1
            58   53  54 2
            59   54  55 1
            60   55  56 2
            61   51  56 1
            62   47  51 1
            63   39  57 1
            64   57  58 1
            65   58  59 2
            66   59  60 1
            67   43  58 1 #Down
            68   49  61 1
            69   61  62 1
            70   45  63 1 #Down
            71   63  64 1
            72   64  65 1
            73   60  39 2

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