KEGG   DRUG: LevothyroxineHelp
Entry
D08125                      Drug                                   

Name
Levothyroxine (BAN);
Forthyron (TN)
Formula
C15H11I4NO4
Exact mass
776.6867
Mol weight
776.87
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug interaction
Structure map
map07043  Antineoplastics - hormones
Brite
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Thyroid)
  Levothyroxine
   D08125  Levothyroxine (BAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Thyroid hormone receptor (THR)
    NR1A (THR)
     D08125  Levothyroxine (BAN)
BRITE hierarchy
Other DBs
CAS: 51-48-9
PubChem: 96024815
ChEBI: 18332
ChEMBL: CHEMBL1624
DrugBank: DB00451
PDB-CCD: T44[PDBj]
LigandBox: D08125
NIKKAJI: J4.118A
LinkDB All DBs
KCF data Show

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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