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GLASS

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GPCR

Name	Thyrotropin receptor
Species	Homo sapiens (Human)
Gene	TSHR
Synonym	LGR3 Thyroid-stimulating hormone receptor Thyrotropin Receptor TSH receptor TSH-R
Disease	Thyroid cancer diagnosis Diagnostic test to differentiate primary and secondary hypothyroidism Thyroid cancer
Length	764
Amino acid sequence	MRPADLLQLVLLLDLPRDLGGMGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTLKKLPLSLSFLHLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSMQSLRQRKSVNALNSPLHQEYEENLGDSIVGYKEKSKFQDTHNNAHYYVFFEEQEDEIIGFGQELKNPQEETLQAFDSHYDYTICGDSEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSLLALLGNVFVLLILLTSHYKLNVPRFLMCNLAFADFCMGMYLLLIASVDLYTHSEYYNHAIDWQTGPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLDRKIRLRHACAIMVGGWVCCFLLALLPLVGISSYAKVSICLPMDTETPLALAYIVFVLTLNIVAFVIVCCCYVKIYITVRNPQYNPGDKDTKIAKRMAVLIFTDFICMAPISFYALSAILNKPLITVSNSKILLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGICKRQAQAYRGQRVPPKNSTDIQVQKVTHDMRQGLHNMEDVYELIENSHLTPKKQGQISEEYMQTVL
UniProt	P16473
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T60606
ChEMBL	CHEMBL1963
IUPHAR	255
DrugBank	N/A

Ligand

Name	Sodium valproate
Molecular formula	C8H15NaO2
IUPAC name	sodium;2-propylpentanoate
Molecular weight	166.196
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	None
Synonyms	D0R5HK Valproate EINECS 213-961-8 Valproic acid sodium salt HMS2230E16 KB-259787 M-2892 NCGC00016192-02 2-propyl-pentanoicacisodiumsalt NCGC00261574-01 5VOM6GYJ0D SCHEMBL35027 AN-8062 Sodium n-dipropylacetate CCG-208088 SPECTRUM1500606 Tox21_302623 dipropylacetatesodium Valproate sodium (USAN) Eurekene Valproic acid sodium salt, 98% HMS3648A12 kw6066n MLS001332432 NCGC00094208-01 2-Propylpentanoic acid sodium salt Pentanoic acid, 2-propyl-, sodium salt ABBOTT-44090 Sodium 2-n-propyl-pentanoate BCP02888 Sodium valproate (JP17) CTK6D3458 Valeric acid, 2-propyl-, sodium salt DSSTox_RID_79301 Valproic Acid (sodium salt) HMS1921I21 HY-10585A LP00889 Natrium valproat 1069-66-5 NCGC00167849-01 2-Propylvaleric acid sodium salt S0894 AEQFSUDEHCCHBT-UHFFFAOYSA-M Sodium bispropylacetate C-36561 Sodium2-propylpentanoate ST2419859 DEPACON Valproate sodium Epilim Valproic acid sodium salt (1:1) HMS3262B20 KS-00000WRE MFCD00078604 NCGC00016192-03 2-propyl-valericacisodiumsalt Orfiril A-44090 Selenica (TN) ANW-15465 CCG-40071 Tox21_500889 DSSTox_CID_17072 Valproate sodium [USAN:USP] FT-0633278 Valproic Acid, Sodium Salt HMS3654I14 Labazene MLS002153189 NCGC00094208-02 2-Propylpentanoic Acid, Na potassium dipropylacetate AC-8391 Sodium 2-propylpentanoate BCP0726000316 Sodium valproate, British Pharmacopoeia (BP) Reference Standard CHEMBL433 D00710 Valerin DTXSID5037072 Valproic acid sodium HMS2092C12 I01-1195 LS-161174 NCGC00016192-01 2-Propyl pentanoic acid NCGC00256651-01 2-propylvalericacidsodiumsalt s1168 AKOS005066057 Sodium dipropylacetate CAS-1069-66-5 sodium;2-propylpentanoate SW219169-2 Dipropylacetate sodium Valproate Sodium (Depacon) EU-0100889 Valproic acid sodium salt (Sodium valproate) HMS3369L11 KW 6066N MLS001332431 NCGC00016192-04 2-propylpentanoic acid sodium P 4543 AB0013058 SMR000875243 AS-13150 Sodium valproate (2-Propylpentanoic acid, sodium salt) CHEBI:9925 UNII-5VOM6GYJ0D DSSTox_GSID_37072 Valproate Sodium [USAN] H456 Valproinsaeure, natrium HMS500N15 Lopac-P-4543 MolPort-003-666-306 NCGC00094208-03 2-Propylpentanoic acid, sodium salt, 98% Q-201918 AC1Q1V4P Sodium 2-propylvalerate BG0351 Sodium valproate, European Pharmacopoeia (EP) Reference Standard CS-1764 [ Show all ]
Inchi Key	AEQFSUDEHCCHBT-UHFFFAOYSA-M
Inchi ID	InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
PubChem CID	16760703
ChEMBL	CHEMBL433
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	39810.7 nM	PubChem BioAssay data set	ChEMBL

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