KEGG   DRUG: Emivirine
Entry
D01055                      Drug                                   
Name
Emivirine (USAN/INN);
Coactinon (TN)
Formula
C17H22N2O3
Exact mass
302.163
Mol weight
302.3682
Structure
Class
Antiviral
 DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
 DG03107  Anti-HIV agent
  DG01656  HIV reverse transcriptase inhibitor
Efficacy
Antiviral, Reverse transcriptase inhibitor
Target
HIV-1 reverse transcriptase [KO:K24802]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko03250  Viral life cycle - HIV-1
Interaction
Structure map
map07053  Anti-HIV agents
Brite
Drug groups [BR:br08330]
 Antiviral
  DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
   D01055  Emivirine
  DG03107  Anti-HIV agent
   DG01656  HIV reverse transcriptase inhibitor
    D01055  Emivirine
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D01055  Emivirine (USAN/INN)
Other DBs
CAS: 149950-60-7
PubChem: 7848118
ChEBI: 44143
PDB-CCD: MKC[PDBj]
LigandBox: D01055
KCF data

ATOM        22
            1   N4x N    20.5566  -14.9099
            2   C8y C    20.5566  -16.3099
            3   N4y N    21.7690  -17.0099
            4   C8y C    22.9814  -16.3099
            5   C8y C    22.9814  -14.9099
            6   C8y C    21.7690  -14.2099
            7   O5x O    21.7690  -12.8099
            8   O5x O    19.3441  -17.0099
            9   C1c C    24.1951  -14.2091
            10  C1a C    25.4089  -14.9099
            11  C1a C    24.1951  -12.8099
            12  C1b C    21.7690  -18.4098
            13  O2a O    20.5572  -19.1094
            14  C1b C    24.1951  -17.0107
            15  C8y C    24.1951  -18.4098
            16  C8x C    22.9838  -19.1092
            17  C8x C    22.9838  -20.5092
            18  C8x C    24.1961  -21.2092
            19  C8x C    25.4076  -20.5098
            20  C8x C    25.4076  -19.1098
            21  C1b C    19.3441  -18.4098
            22  C1a C    18.1317  -19.1098
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     2   8 2
            9     5   9 1
            10    9  10 1
            11    9  11 1
            12    3  12 1
            13   12  13 1
            14    4  14 1
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   13  21 1
            23   21  22 1

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