KEGG   DRUG: Levothyroxine
Entry
D08125                      Drug                                   

Name
Levothyroxine (BAN);
Forthyron (TN)
Formula
C15H11I4NO4
Exact mass
776.6867
Mol weight
776.87
Structure
Simcomp
Class
Other
 DG01608  Thyroid hormone
 DG01953  Thyroid preparation
  DG01608  Thyroid hormone
Remark
Same as: C01829
Chemical structure group: DG00510
Product (DG00510): D01010<JP/US> D11113<US>
Efficacy
Replenisher (thyroid hormone)
Target
NR1A (THR) [HSA:7067 7068] [KO:K05547 K08362]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04919  Thyroid hormone signaling pathway
Interaction
Structure map
map07043  Antineoplastics - hormones
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Thyroid hormone receptor (THR)
    NR1A (THR)
     D08125  Levothyroxine (BAN)
Other DBs
CAS: 51-48-9
PubChem: 96024815
ChEBI: 18332
ChEMBL: CHEMBL1624
DrugBank: DB00451
PDB-CCD: T44[PDBj]
LigandBox: D08125
NIKKAJI: J4.118A
LinkDB
KCF data

ATOM        24
            1   C8y C    27.0900  -18.6200
            2   O2a O    25.9000  -17.9200
            3   C8x C    27.0900  -20.0200
            4   C8x C    28.3500  -17.9200
            5   C8y C    24.7100  -17.2200
            6   C8y C    28.3500  -20.7200
            7   C8y C    29.5400  -18.6200
            8   C8y C    23.5200  -17.9200
            9   C8y C    24.7100  -15.8200
            10  C8y C    29.5400  -20.0200
            11  X   I    28.3500  -22.1200
            12  X   I    30.7300  -17.8500
            13  C8x C    22.2600  -17.2200
            14  X   I    23.5200  -19.3200
            15  C8x C    23.5200  -15.1200
            16  X   I    25.9000  -15.1200
            17  O1a O    30.8000  -20.6500
            18  C8y C    22.2600  -15.8200
            19  C1b C    21.0700  -15.1200
            20  C1c C    19.8800  -15.8200
            21  C6a C    18.6900  -15.1200
            22  N1a N    19.8800  -17.2200
            23  O6a O    18.6900  -13.7200
            24  O6a O    17.5000  -15.8200
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 2
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    8  14 1
            14    9  15 1
            15    9  16 1
            16   10  17 1
            17   13  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1 #Down
            22   21  23 2
            23   21  24 1
            24    7  10 1
            25   15  18 2

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