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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	D-Alanine, 3-sulfino-
Molecular formula	C3H7NO4S
IUPAC name	(2S)-2-amino-3-sulfinopropanoic acid
Molecular weight	153.152
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	-4.2
Synonyms	35554-99-5 Cysteinesulfinate, D- NCGC00015239-01 ADVPTQAUNPRNPO-UWTATZPHSA-N UNII-UZY4HYK4ZX component ADVPTQAUNPRNPO-UWTATZPHSA-N (2S)-2-amino-3-sulfinopropanoic acid CHEMBL1316081 L-Cysteine sulfinic acid A6YN9EAW93 Cysteinesulfinic acid, (-)- SCHEMBL15264082 Alanine, beta-sulfino- D-Cysteine sulfinate ZINC20111474 3-Sulfinoalanine # CTK1B6853 Lopac-C-4418 AC1LUCD5 Cysteinesulfinic acid, D- UNII-A6YN9EAW93 D-Cysteine sulphinate [ Show all ]
Inchi Key	ADVPTQAUNPRNPO-UWTATZPHSA-N
Inchi ID	InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m1/s1
PubChem CID	1602099
ChEMBL	CHEMBL1316081
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	794.3 nM	PubChem BioAssay data set	ChEMBL

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