KEGG   DRUG: D03253Help
Entry
D03253                      Drug                                   

Name
Brecanavir (USAN)
Formula
C33H41N3O10S2
Exact mass
703.2233
Mol weight
703.8227
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of HIV infections in combination with other antiretroviral agents [DS:H00406]
Remark
Drug group: 
Target
HIV protease inhibitor [CPD:C19849]
Interaction
Drug interaction
Structure map
HIV protease inhibitors
Brite
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Protease inhibitor (PIs)
    Nonpeptidic
     Brecanavir
      D03253  Brecanavir (USAN)
BRITE hierarchy
Other DBs
CAS: 
313682-08-5
PubChem: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        48
            1   C1y C    30.5548  -16.0483
            2   N1c N    22.0687  -16.6795
            3   C1b C    23.2609  -15.9781
            4   S4a S    20.8764  -15.9781
            5   C1c C    24.5233  -16.6795
            6   C8y C    19.6140  -16.6795
            7   C1c C    25.7156  -15.9781
            8   C1b C    25.7156  -14.5755
            9   N1b N    26.9079  -16.6795
            10  C8y C    24.5233  -13.8741
            11  C7a C    28.1001  -15.9781
            12  C8x C    23.2609  -14.5755
            13  C8x C    24.5233  -12.4715
            14  O7a O    29.3625  -16.6795
            15  O6a O    28.1001  -14.5755
            16  C8x C    22.0687  -13.8741
            17  C8x C    23.2609  -11.7701
            18  C8y C    22.0687  -12.4715
            19  C8x C    19.6140  -18.0821
            20  C8x C    18.4217  -18.7835
            21  C8y C    17.2295  -18.0821
            22  C8y C    17.2295  -16.6795
            23  C8x C    18.4217  -15.9781
            24  C1b C    22.0687  -18.0821
            25  C1c C    20.8764  -18.8536
            26  O1a O    24.4532  -18.0821
            27  O3c O    21.8583  -14.9963
            28  O3c O    19.8945  -14.9963
            29  O2x O    15.8969  -16.2587
            30  C1x C    15.0553  -17.3808
            31  O2x O    15.8969  -18.5029
            32  O2a O    20.8764  -11.7701
            33  C1b C    19.6841  -12.4715
            34  C8y C    18.4919  -11.7701
            35  C8x C    18.4919  -10.3701
            36  S2x S    17.1604   -9.9375
            37  C8y C    16.3375  -11.0701
            38  N5x N    17.1604  -12.2028
            39  C1a C    14.9100  -11.0703
            40  C1a C    19.6640  -19.5536
            41  C1a C    21.5919  -20.0234
            42  C1y C    31.8979  -16.4307
            43  C1y C    32.6702  -15.2630
            44  O2x O    31.7984  -14.1676
            45  C1x C    30.4872  -14.6582
            46  C1x C    32.7697  -17.5261
            47  C1x C    34.0109  -17.0354
            48  O2x O    34.0194  -15.6368
BOND        53
            1     2   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     5   7 1
            6     7   8 1 #Down
            7     7   9 1
            8     8  10 1
            9     9  11 1
            10   10  12 2
            11   10  13 1
            12   11  14 1
            13   11  15 2
            14   12  16 1
            15   13  17 2
            16   16  18 2
            17   17  18 1
            18    6  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23    6  23 1
            24    2  24 1
            25   24  25 1
            26    5  26 1 #Down
            27    4  27 2
            28    4  28 2
            29   22  29 1
            30   29  30 1
            31   30  31 1
            32   21  31 1
            33   18  32 1
            34   32  33 1
            35   33  34 1
            36    1  14 1 #Up
            37   34  35 2
            38   35  36 1
            39   36  37 1
            40   37  38 2
            41   34  38 1
            42   37  39 1
            43   25  40 1
            44   25  41 1
            45    1  42 1
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49    1  45 1
            50   42  46 1
            51   46  47 1
            52   47  48 1
            53   43  48 1

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