KEGG   DRUG: D01055Help
Entry
D01055                      Drug                                   

Name
Emivirine (USAN/INN);
Coactinon (TN)
Formula
C17H22N2O3
Exact mass
302.163
Mol weight
302.3682
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of HIV-1 infections [non-nucleoside reverse transcriptase inhibitor] [DS:H00406]
Comment
Non-nucleoside reverse transcriptase inhibitor (NNRTI)
Target
RNA-directed DNA polymerase inhibitor
Interaction
Drug interaction
Structure map
Anti-HIV agents
Brite
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Reverse transcriptase inhibitor (RTI)
    Non-nucleoside reverse transcriptase inhibitors (NNRTIs)
     Emivirine
      D01055  Emivirine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
149950-60-7
PubChem: 
PDB-CCD: 
LigandBox: 
KCF data Show

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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