KEGG   DRUG: Bevirimat dimeglumine
Entry
D06564                      Drug                                   

Name
Bevirimat dimeglumine (USAN)
Formula
C36H56O6. (C7H17NO5)2
Exact mass
974.629
Mol weight
975.2534
Structure
Efficacy
Antiviral
Comment
Maturation inhibitor
Treatment of HIV-1 infection
Target
HIV gag [KO:K22951] (mRNA)
Structure map
map07053  Anti-HIV agents
Brite
Antiinfectives [BR:br08307]
 Antivirals
  Virus maturation inhibitor
   HIV maturation inhibitor
    D06564  Bevirimat dimeglumine (USAN)
Other DBs
CAS: 823821-85-8
PubChem: 47208220
ChEMBL: CHEMBL2218911
LigandBox: D06564
KCF data

ATOM        68
            1   C1a C    42.7000  -32.0600
            2   N1b N    43.8900  -31.3600
            3   C1b C    45.1500  -32.0600
            4   C1c C    46.3400  -31.3600
            5   C1c C    47.5300  -32.0600
            6   C1c C    48.7200  -31.3600
            7   C1c C    49.9800  -32.0600
            8   C1b C    51.1700  -31.4300
            9   O1a O    52.3600  -32.1300
            10  O1a O    46.3400  -29.9600
            11  O1a O    47.5300  -33.4600
            12  O1a O    48.7200  -29.9600
            13  O1a O    49.9800  -33.4600
            14  C1x C    28.0700  -32.8300
            15  C1y C    28.0700  -34.2300
            16  C1z C    29.2824  -34.9300
            17  C1y C    30.4949  -34.2300
            18  C1z C    30.4949  -32.8300
            19  C1x C    29.2824  -32.1300
            20  C1x C    31.7073  -34.9300
            21  C1x C    32.9197  -34.2300
            22  C1z C    32.9197  -32.8300
            23  C1y C    31.7073  -32.1300
            24  C1z C    34.1322  -32.1300
            25  C1y C    34.1322  -30.7300
            26  C1x C    32.9197  -30.0300
            27  C1x C    31.7073  -30.7300
            28  C1x C    35.3446  -32.8300
            29  C1x C    36.5570  -32.1300
            30  C1z C    36.5570  -30.7300
            31  C1y C    35.3446  -30.0300
            32  C1x C    37.5975  -29.7932
            33  C1x C    37.0280  -28.5142
            34  C1y C    35.6357  -28.6606
            35  C6a C    37.7695  -31.4300
            36  C1a C    33.4797  -31.4300
            37  C1a C    30.4949  -31.4300
            38  O7a O    26.8576  -34.9300
            39  C1a C    34.1322  -33.5300
            40  C2c C    34.6810  -27.6007
            41  C2a C    33.2866  -27.8980
            42  C1a C    35.1163  -26.2599
            43  O6a O    39.0046  -30.7166
            44  O6a O    37.7696  -32.8297
            45  C7a C    25.6621  -34.2396
            46  C1b C    24.4747  -34.9251
            47  O6a O    25.6620  -32.8303
            48  C1d C    23.2835  -34.2371
            49  C6a C    22.0940  -34.9238
            50  O6a O    20.9039  -34.2365
            51  O6a O    22.0938  -36.3298
            52  C1a C    24.2734  -33.2471
            53  C1a C    22.2935  -33.2471
            54  C1a C    28.5824  -36.1424
            55  C1a C    29.9824  -36.1424
            56  C1a C    42.7000  -32.0600
            57  N1b N    43.8900  -31.3600
            58  C1b C    45.1500  -32.0600
            59  C1c C    46.3400  -31.3600
            60  C1c C    47.5300  -32.0600
            61  O1a O    47.5300  -33.4600
            62  C1c C    48.7200  -31.3600
            63  C1c C    49.9800  -32.0600
            64  C1b C    51.1700  -31.4300
            65  O1a O    52.3600  -32.1300
            66  O1a O    49.9800  -33.4600
            67  O1a O    48.7200  -29.9600
            68  O1a O    46.3400  -29.9600
BOND        70
            1    14  15 1
            2    15  16 1
            3    16  17 1
            4    17  18 1
            5    18  19 1
            6    14  19 1
            7    17  20 1
            8    20  21 1
            9    21  22 1
            10   22  23 1
            11   18  23 1
            12   22  24 1
            13   24  25 1
            14   25  26 1
            15   26  27 1
            16   23  27 1
            17   24  28 1
            18   28  29 1
            19   29  30 1
            20   30  31 1
            21   25  31 1
            22   30  32 1
            23   32  33 1
            24   33  34 1
            25   31  34 1
            26   30  35 1 #Up
            27   22  36 1 #Up
            28   18  37 1 #Up
            29   15  38 1 #Up
            30   24  39 1 #Down
            31   34  40 1 #Down
            32   40  41 2
            33   40  42 1
            34   35  43 1
            35   35  44 2
            36   38  45 1
            37   45  46 1
            38   45  47 2
            39   46  48 1
            40   48  49 1
            41   49  50 1
            42   49  51 2
            43   48  52 1
            44   48  53 1
            45   16  54 1
            46   16  55 1
            47    6   7 1
            48    3   4 1
            49    7   8 1
            50    8   9 1
            51    4   5 1
            52    4  10 1 #Down
            53    2   3 1
            54    5  11 1 #Down
            55    5   6 1
            56    6  12 1 #Down
            57    1   2 1
            58    7  13 1 #Up
            59   62  63 1
            60   58  59 1
            61   63  64 1
            62   64  65 1
            63   59  60 1
            64   59  68 1 #Down
            65   57  58 1
            66   60  61 1 #Down
            67   60  62 1
            68   62  67 1 #Down
            69   56  57 1
            70   63  66 1 #Up
BRACKET     1    40.8800  -33.7400   40.8800  -29.4700
            1    53.5500  -29.4700   53.5500  -33.7400
            1  2
 ORIGINAL  1    1   2   3   4   5  11   6   7   8   9  13  12  10
 REPEAT    1   60  61  62  63  64  65  66  67  68  69  70  71  72

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