KEGG   DRUG: Bictegravir sodium
Entry
D10910                      Drug                                   

Name
Bictegravir sodium (JAN/USAN)
Formula
C21H17F3N3O5. Na
Exact mass
471.1018
Mol weight
471.3618
Structure
Simcomp
Remark
Chemical structure group: DG02404
Product (mixture): D11039<JP/US>
Efficacy
Antiviral, HIV integrase inhibitor
Comment
Treatment of HIV-1 infection
Target
HIV-1 integrase [KO:K24803]
Interaction
Brite
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV integrase inhibitor
    D10910  Bictegravir sodium (JAN/USAN)
Other DBs
CAS: 1807988-02-8
PubChem: 342581767
ChEBI: 172961
ChEMBL: CHEMBL3989867
LinkDB
KCF data

ATOM        33
            1   C8y C    16.3094  -16.8498
            2   N4y N    16.3094  -15.4730
            3   C8x C    17.4798  -14.7844
            4   C8y C    18.7190  -15.4730
            5   C8y C    18.7190  -16.8498
            6   C8y C    17.4798  -17.5383
            7   C5x C    15.1390  -17.5383
            8   N1y N    13.8998  -16.8498
            9   C1y C    13.8998  -15.4730
            10  C1x C    15.1390  -14.7844
            11  C1y C    12.7294  -17.5383
            12  C1x C    11.5591  -16.8498
            13  C1y C    11.5591  -15.4730
            14  O2x O    12.7294  -14.7844
            15  O5x O    15.1390  -18.9152
            16  O1a O    17.4798  -18.9152 #-
            17  O5x O    19.8894  -17.5383
            18  C5a C    19.8894  -14.7844
            19  N1b N    21.0597  -15.4730
            20  O5a O    19.8894  -13.4076
            21  C1b C    22.2301  -14.7844
            22  C8y C    23.4004  -15.4730
            23  C8y C    24.5709  -14.7844
            24  C8x C    25.8101  -15.4730
            25  C8y C    25.8101  -16.8498
            26  C8x C    24.6397  -17.5383
            27  C8y C    23.4004  -16.8498
            28  X   F    22.2301  -17.5383
            29  X   F    26.9804  -17.5383
            30  C1x C    10.3696  -16.1597
            31  C1x C    11.5400  -18.2250
            32  X   F    24.5709  -13.4109
            33  Z   Na   18.9700  -19.8100 #+
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17    7  15 2
            18    6  16 1
            19    5  17 2
            20    4  18 1
            21   18  19 1
            22   18  20 2
            23   19  21 1
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   27  28 1
            32   25  29 1
            33   13  30 1 #Up
            34   11  31 1 #Up
            35   30  31 1
            36   23  32 1

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