KEGG   DRUG: Atevirdine mesylate
Entry
D03001                      Drug                                   

Name
Atevirdine mesylate (USAN)
Formula
C21H25N5O2. CH4SO3
Exact mass
475.1889
Mol weight
475.5612
Structure
Simcomp
Class
Antiviral
 DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
Efficacy
Antiviral, Reverse transcriptase inhibitor
Target
HIV-1 reverse transcriptase [KO:K24802]
Interaction
Brite
Antiinfectives [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D03001  Atevirdine mesylate (USAN)
Other DBs
CAS: 138540-32-6
PubChem: 17397157
ChEMBL: CHEMBL7264
LigandBox: D03001
NIKKAJI: J572.443K
KCF data

ATOM        33
            1   C5a C    17.3276  -18.0504
            2   O5a O    17.3276  -19.4445
            3   N1y N    13.7026  -15.9590
            4   C1x C    13.7026  -17.3532
            5   C1x C    14.8877  -18.0504
            6   N1y N    16.1425  -17.3532
            7   C1x C    16.1425  -15.9590
            8   C1x C    14.8877  -15.2619
            9   C8y C    12.4924  -15.2668
            10  N5x N    12.4866  -13.8681
            11  C8x C    11.2764  -13.1760
            12  C8x C    10.0020  -13.8781
            13  C8x C    10.0078  -15.2768
            14  C8y C    11.2879  -15.9689
            15  N1b N    11.2934  -17.3529
            16  C1b C    10.0661  -18.0682
            17  C1a C     8.8571  -17.3768
            18  C8y C    18.5501  -17.3513
            19  C8x C    18.5501  -15.9528
            20  N4x N    19.8801  -17.7834
            21  C8y C    20.7022  -16.6520
            22  C8y C    19.8801  -15.5206
            23  C8x C    22.0930  -16.6457
            24  C8x C    22.6618  -15.2982
            25  C8y C    21.8397  -14.2367
            26  C8x C    20.4489  -14.2430
            27  O2a O    22.4357  -13.0134
            28  C1a C    23.8324  -12.9849
            29  O1d O    26.9834  -16.6264
            30  S4a S    26.9834  -18.0240
            31  C1a C    25.5858  -18.0240
            32  O1d O    28.3811  -18.0240
            33  O1d O    26.9834  -19.4216
BOND        35
            1     1   2 2
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     3   8 1
            8     6   1 1
            9     3   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    1  18 1
            20   18  19 2
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   19  22 1
            25   21  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   22  26 2
            30   25  27 1
            31   27  28 1
            32   29  30 2
            33   30  31 1
            34   30  32 1
            35   30  33 2

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