KEGG   DRUG: Entecavir
Entry
D07896                      Drug                                   
Name
Entecavir (INN)
Formula
C12H15N5O3
Exact mass
277.1175
Mol weight
277.28
Structure
Simcomp
Class
Antiviral
 DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
Remark
ATC code: J05AF10
Chemical structure group: DG00661
Product (DG00661): D04008<JP/US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
Target
HBV reverse transcriptase [KO:K21037]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05161  Hepatitis B
Structure map
map07044  Antiviral agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AF Nucleoside and nucleotide reverse transcriptase inhibitors
     J05AF10 Entecavir
      D07896  Entecavir (INN)
Drug groups [BR:br08330]
 Antiviral
  DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
   DG00661  Entecavir
    D07896  Entecavir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HBV reverse transcriptase inhibitor
    D07896  Entecavir (INN)
Drug groups [BR:br08330]
 Antiviral
  DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
   DG00661  Entecavir
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   HBV reverse transcriptase inhibitor
    DG00661  Entecavir
Other DBs
CAS: 142217-69-4
PubChem: 96024592
ChEBI: 473990
LigandBox: D07896
NIKKAJI: J846.317D
LinkDB
KCF data

ATOM        20
            1   C8y C    24.5829  -13.9364
            2   C8y C    24.5548  -15.4280
            3   C8y C    25.5986  -13.1882
            4   N5x N    23.1983  -13.5418
            5   N4y N    23.2999  -15.9446
            6   N5x N    25.8020  -16.0746
            7   O5x O    25.6471  -11.7934
            8   N4x N    26.9425  -13.8145
            9   C8x C    22.3964  -14.7711
            10  C1y C    21.6240  -17.0627
            11  C8y C    26.9576  -15.3264
            12  C2y C    20.5182  -16.2076
            13  C1x C    21.1861  -18.2445
            14  N1a N    28.2430  -15.9145
            15  C1y C    19.3887  -16.9598
            16  C1y C    19.7884  -18.2938
            17  C1b C    18.0671  -16.5208
            18  O1a O    17.0064  -17.3440
            19  C2a C    20.5389  -14.8099
            20  O1a O    18.9332  -19.3996
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9    10   5 1 #Up
            10    6  11 2
            11   10  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   15  17 1 #Up
            17   17  18 1
            18    5   9 1
            19    8  11 1
            20   15  16 1
            21   12  19 2
            22   16  20 1 #Down

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