KEGG   DRUG: Bictegravir
Entry
D10909                      Drug                                   

Name
Bictegravir (USAN/INN)
Formula
C21H18F3N3O5
Exact mass
449.1199
Mol weight
449.3799
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
    D10909  Bictegravir (USAN/INN)
Other DBs
CAS: 1611493-60-7
PubChem: 342581766
ChEBI: 172943
ChEMBL: CHEMBL3989866
PDB-CCD: KLQ[PDBj]
LinkDB
KCF data

ATOM        32
            1   C8y C    17.0517  -11.1812
            2   N4y N    17.0517   -9.7778
            3   C8x C    18.2447   -9.0760
            4   C8y C    19.5078   -9.7778
            5   C8y C    19.5078  -11.1812
            6   C8y C    18.2447  -11.8829
            7   C5x C    15.8588  -11.8829
            8   N1y N    14.5957  -11.1812
            9   C1y C    14.5957   -9.7778
            10  C1x C    15.8588   -9.0760
            11  C1y C    13.4028  -11.8829
            12  C1x C    12.2099  -11.1812
            13  C1y C    12.2099   -9.7778
            14  O2x O    13.4028   -9.0760
            15  O5x O    15.8588  -13.2864
            16  O1a O    18.2447  -13.2864
            17  O5x O    20.7007  -11.8829
            18  C5a C    20.7007   -9.0760
            19  N1b N    21.8936   -9.7778
            20  O5a O    20.7007   -7.6726
            21  C1b C    23.0865   -9.0760
            22  C8y C    24.2794   -9.7778
            23  C8y C    25.4724   -9.0760
            24  C8x C    26.7355   -9.7778
            25  C8y C    26.7355  -11.1812
            26  C8x C    25.5425  -11.8829
            27  C8y C    24.2794  -11.1812
            28  X   F    23.0865  -11.8829
            29  X   F    27.9284  -11.8829
            30  C1x C    10.9975  -10.4778
            31  C1x C    12.1904  -12.5829
            32  X   F    25.4724   -7.6760
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

» Japanese version   » Back

DBGET integrated database retrieval system