KEGG   DRUG: TralonideHelp
Entry
D06201                      Drug                                   

Name
Tralonide (USAN/INN)
Formula
C24H28Cl2F2O4
Exact mass
488.1333
Mol weight
489.3795
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
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)
     D06201  Tralonide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 21365-49-1
PubChem: 47207859
ChEMBL: CHEMBL2105543
LigandBox: D06201
NIKKAJI: J11.257G
LinkDB All DBs
KCF data Show

ATOM        32
            1   C2x C    20.0029  -19.3452
            2   C5x C    20.0029  -20.7026
            3   C2x C    21.1784  -21.3812
            4   C2y C    22.3538  -20.7026
            5   C1z C    22.3538  -19.3452
            6   C2x C    21.1784  -18.6665
            7   C1y C    23.5294  -21.3812
            8   C1x C    24.7048  -20.7026
            9   C1y C    24.7048  -19.3452
            10  C1z C    23.5294  -18.6665
            11  C1y C    25.8803  -18.6665
            12  C1z C    25.8803  -17.3093
            13  C1x C    24.7048  -16.6307
            14  C1y C    23.5294  -17.3093
            15  C1x C    28.2312  -18.6665
            16  C1y C    28.2312  -17.3093
            17  C1z C    27.0558  -16.6307
            18  X   Cl   23.5320  -20.0240
            19  C1a C    25.9073  -15.9520
            20  C1a C    22.3508  -17.9488
            21  X   Cl   22.3051  -16.6025
            22  O5x O    18.8027  -21.3958
            23  C5a C    27.0554  -14.9974
            24  C1b C    25.8593  -14.3073
            25  O5a O    28.2768  -14.2918
            26  O2x O    28.2589  -15.9052
            27  O2x O    29.6546  -17.3009
            28  C1z C    29.6546  -15.9052
            29  C1a C    29.6546  -14.5054
            30  C1a C    31.0544  -15.9052
            31  X   F    24.6375  -15.0135
            32  X   F    23.5292  -22.7500
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   10  18 1 #Down
            22   12  19 1 #Up
            23    5  20 1 #Up
            24   14  21 1 #Up
            25    2  22 2
            26   17  23 1 #Up
            27   23  24 1
            28   23  25 2
            29   17  26 1 #Down
            30   16  27 1 #Down
            31   26  28 1
            32   27  28 1
            33   28  29 1
            34   28  30 1
            35   24  31 1
            36    7  32 1 #Down

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