KEGG   COMPOUND: C15618Help
Entry
C15618                      Compound                               

Name
Sobetirome;
GC-1
Formula
C20H24O4
Exact mass
328.1675
Mol weight
328.4022
Structure
Mol fileKCF fileDB search
Remark
Same as: D09381
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Thyroid hormone receptor (THR)
    NR1A2 (THRB)
     D09381  Sobetirome (USAN)
BRITE hierarchy
Other DBs
CAS: 211110-63-3
PubChem: 17396609
ChEBI: 79988
ChEMBL: CHEMBL107400
PDB-CCD: B72[PDBj]
NIKKAJI: J1.430.329D
KCF data Show

ATOM        24
            1   O6a O     7.9800  -10.0800
            2   C6a C     9.1924   -9.3800
            3   C1b C    10.4049  -10.0800
            4   O2a O    11.6173   -9.3800
            5   C8y C    12.8297  -10.0800
            6   O6a O     9.1924   -7.9802
            7   C8x C    12.8297  -11.4799
            8   C8y C    14.0422  -12.1799
            9   C8y C    15.2546  -11.4799
            10  C8y C    15.2546  -10.0800
            11  C8x C    14.0422   -9.3800
            12  C1a C    14.0422  -13.5797
            13  C1b C    16.4711  -12.1822
            14  C8y C    17.6686  -11.4907
            15  C1a C    16.4011   -9.3077
            16  C8x C    18.8549  -12.1756
            17  C8y C    20.0674  -11.4756
            18  C8y C    20.0673  -10.0756
            19  C8x C    18.8810   -9.3907
            20  C8x C    17.6685  -10.0907
            21  O1a O    21.2947   -9.3667
            22  C1c C    21.2986  -12.1866
            23  C1a C    22.4998  -11.4930
            24  C1a C    21.2985  -13.5799
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 2
            6     5   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    5  11 1
            12    8  12 1
            13    9  13 1
            14   13  14 1
            15   10  15 1
            16   14  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   14  20 1
            22   18  21 1
            23   17  22 1
            24   22  23 1
            25   22  24 1

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