KEGG   DRUG: Flupamesone
Entry
D07975                      Drug                                   

Name
Flupamesone;
Flutenal (TN)
Formula
C73H78F2O16
Exact mass
1248.5258
Mol weight
1249.3876
Structure
Efficacy
Anti-inflammatory (topical), Glucocorticoid receptor agonist
Comment
Adrenal cortex hormone
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07975  Flupamesone
Other DBs
CAS: 55461-42-2
PubChem: 96024670
LigandBox: D07975
LinkDB
KCF data

ATOM        91
            1   C1y C    29.0609  -20.7771
            2   C1y C    27.8599  -21.4711
            3   C1y C    27.8605  -22.8847
            4   C1y C    30.2859  -22.8969
            5   C1z C    30.2853  -21.4834
            6   C1y C    31.5103  -23.6031
            7   C1z C    32.7342  -22.8959
            8   C1y C    32.7336  -21.4824
            9   C1x C    31.5091  -20.7761
            10  C1x C    31.5109  -25.0167
            11  C1x C    32.7354  -25.7229
            12  C2y C    33.9593  -25.0155
            13  C1z C    33.9586  -23.6020
            14  C2x C    35.1837  -25.7218
            15  C5x C    36.4076  -25.0145
            16  C2x C    36.4070  -23.6010
            17  C2x C    35.1825  -22.8948
            18  O5x O    37.6589  -25.7367
            19  C2x C    11.8465  -23.3217
            20  C5x C    11.8465  -24.7353
            21  C2x C    13.0706  -25.4420
            22  C2y C    14.2949  -24.7353
            23  C1z C    14.2949  -23.3217
            24  C2x C    13.0706  -22.6150
            25  C1x C    15.5190  -25.4420
            26  C1x C    16.7431  -24.7353
            27  C1y C    16.7431  -23.3217
            28  C1z C    15.5190  -22.6150
            29  C1y C    17.9673  -22.6150
            30  C1z C    17.9673  -21.2015
            31  C1x C    16.7431  -20.4947
            32  C1y C    15.5190  -21.2015
            33  C1a C    14.2949  -21.9082
            34  O1a O    14.2969  -20.4959
            35  C1a C    17.9673  -19.7879
            36  O5x O    10.6224  -25.4420
            37  X   F    15.5190  -24.0285
            38  C1y C    20.4156  -22.6150
            39  C1y C    20.4156  -21.2015
            40  C1y C    19.3116  -20.7647
            41  C5a C    19.3116  -19.3512
            42  C1b C    20.5499  -18.6359
            43  O5a O    18.1129  -18.6591
            44  O7a O    20.5499  -17.2224
            45  C7a C    21.7572  -16.5255
            46  C8y C    21.7572  -15.1120
            47  C8y C    22.9645  -14.4150
            48  C8y C    22.9645  -13.0015
            49  C8y C    21.7404  -12.2948
            50  C8y C    20.5331  -12.9917
            51  C8x C    20.5331  -14.4053
            52  C8x C    21.7404  -10.8812
            53  C8x C    20.5163  -10.1745
            54  C8x C    19.3090  -10.8715
            55  C8x C    19.3090  -12.2850
            56  C1b C    24.1715  -12.3046
            57  C8y C    25.3716  -12.9974
            58  C8y C    25.3716  -14.4164
            59  C8y C    26.5958  -15.1230
            60  C8x C    27.8199  -14.4162
            61  C8y C    27.8198  -12.9973
            62  C8y C    26.5957  -12.2905
            63  C8x C    29.0439  -12.2904
            64  C8x C    29.0438  -10.8769
            65  C8x C    27.8197  -10.1702
            66  C8x C    26.5956  -10.8770
            67  C7a C    26.5959  -16.5366
            68  O7a O    27.8365  -17.2530
            69  C1b C    27.8365  -18.6665
            70  C5a C    29.0606  -19.3733
            71  O5a O    30.3119  -18.6507
            72  O2a O    22.9645  -15.4045
            73  C1a C    23.4818  -16.6767
            74  O2a O    25.3716  -15.4058
            75  C1a C    24.9476  -16.7713
            76  O6a O    22.1230  -17.8909
            77  O6a O    26.2301  -17.9020
            78  C1a C    30.2853  -20.0698
            79  O1a O    33.9812  -20.7610
            80  C1a C    33.9586  -22.1885
            81  X   F    32.7342  -24.3094
            82  O2x O    21.4051  -21.2015
            83  O2x O    21.4757  -22.6150
            84  O2x O    26.7998  -21.4711
            85  O2x O    26.8004  -22.8847
            86  C1z C    22.4878  -21.8375
            87  C1z C    25.9417  -22.0465
            88  C1a C    23.1946  -20.6134
            89  C1a C    23.1946  -23.0617
            90  C1a C    25.2349  -20.6811
            91  C1a C    25.2956  -23.1874
BOND        104
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    6  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    7  13 1
            16   12  14 2
            17   14  15 1
            18   15  16 1
            19   16  17 2
            20   13  17 1
            21   15  18 2
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 1
            27   19  24 2
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   23  28 1
            33   27  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   28  32 1
            38   23  33 1 #Up
            39   32  34 1 #Up
            40   30  35 1 #Up
            41   20  36 2
            42   28  37 1 #Down
            43   29  38 1
            44   38  39 1
            45   40  41 1 #Up
            46   41  42 1
            47   41  43 2
            48   42  44 1
            49   44  45 1
            50   45  46 1
            51   46  47 2
            52   47  48 1
            53   48  49 2
            54   49  50 1
            55   50  51 2
            56   46  51 1
            57   49  52 1
            58   52  53 2
            59   53  54 1
            60   54  55 2
            61   50  55 1
            62   48  56 1
            63   56  57 1
            64   57  58 2
            65   58  59 1
            66   59  60 2
            67   60  61 1
            68   61  62 2
            69   57  62 1
            70   61  63 1
            71   63  64 2
            72   64  65 1
            73   65  66 2
            74   62  66 1
            75   59  67 1
            76   67  68 1
            77   68  69 1
            78   69  70 1
            79   70  71 2
            80   47  72 1
            81   72  73 1
            82   58  74 1
            83   74  75 1
            84   45  76 2
            85   67  77 2
            86   39  40 1
            87   30  40 1
            88    1  70 1 #Up
            89    5  78 1 #Up
            90    8  79 1 #Up
            91   13  80 1 #Up
            92    7  81 1 #Down
            93   39  82 1 #Down
            94   38  83 1 #Down
            95    2  84 1 #Down
            96    3  85 1 #Down
            97   82  86 1
            98   83  86 1
            99   84  87 1
            100  85  87 1
            101  86  88 1
            102  86  89 1
            103  87  90 1
            104  87  91 1

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