KEGG   DRUG: AnacetrapibHelp
Entry
D08855                      Drug                                   

Name
Anacetrapib (USAN)
Formula
C30H25F10NO3
Exact mass
637.1675
Mol weight
637.5084
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of atherosclerosis
Target
CETP [HSA:1071] [KO:K16835]
Brite
Target-based classification of drugs [BR:br08310]
 Others
  Lipid transfer proteins
   cholesteryl ester transfer protein (CETP)
    Anacetrapib
     D08855  Anacetrapib (USAN)
BRITE hierarchy
Other DBs
CAS: 
875446-37-0
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        44
            1   C8y C    22.3300  -35.3500
            2   C8x C    22.3300  -36.7500
            3   C8y C    23.5200  -37.4500
            4   C8x C    24.7800  -36.7500
            5   C8y C    24.7800  -35.3500
            6   C8x C    23.5200  -34.6500
            7   C1y C    25.9700  -34.6500
            8   C1d C    23.5200  -38.8500
            9   C1d C    21.1400  -34.6500
            10  X   F    22.1200  -38.8500
            11  X   F    24.9200  -38.8500
            12  X   F    23.5200  -40.2500
            13  X   F    19.8800  -33.9500
            14  X   F    21.8400  -33.4600
            15  X   F    20.4400  -35.8400
            16  O7x O    27.0900  -35.4200
            17  C7x C    28.2100  -34.6500
            18  N1y N    27.7900  -33.3200
            19  C1y C    26.3900  -33.3200
            20  C1a C    25.5500  -32.2000
            21  O6a O    29.5400  -35.0700
            22  C1b C    28.9800  -32.6200
            23  C8y C    30.1700  -33.3200
            24  C8x C    30.1586  -34.7200
            25  C8y C    31.3653  -35.4298
            26  C8x C    32.6534  -34.7397
            27  C8x C    32.5948  -33.3397
            28  C8y C    31.3881  -32.6299
            29  C1d C    31.3376  -36.8198
            30  X   F    29.9376  -36.8198
            31  X   F    32.7376  -36.8198
            32  X   F    31.3376  -38.2198
            33  C8y C    31.3297  -31.2206
            34  C8y C    32.5529  -30.4873
            35  C8x C    32.5306  -29.0875
            36  C8y C    31.3072  -28.4069
            37  C8y C    30.0839  -29.1394
            38  C8x C    30.1063  -30.5392
            39  X   F    31.2849  -27.0200
            40  O2a O    33.7881  -31.1736
            41  C1a C    35.0155  -30.4381
            42  C1c C    28.8647  -28.4611
            43  C1a C    27.6325  -29.1985
            44  C1a C    28.8426  -27.0900
BOND        47
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   5 1 #Down
            8     3   8 1
            9     1   9 1
            10    8  10 1
            11    8  11 1
            12    8  12 1
            13    9  13 1
            14    9  14 1
            15    9  15 1
            16    7  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20    7  19 1
            21   19  20 1 #Down
            22   17  21 2
            23   22  23 1
            24   22  18 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   23  28 1
            31   25  29 1
            32   29  30 1
            33   29  31 1
            34   29  32 1
            35   28  33 1
            36   33  34 2
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   33  38 1
            42   36  39 1
            43   34  40 1
            44   40  41 1
            45   37  42 1
            46   42  43 1
            47   42  44 1

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