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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	SMR000025325
Molecular formula	C19H19N3O2S
IUPAC name	N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
Molecular weight	353.44
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.8
Synonyms	MLS000090721 F0599-0049 N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanyl-ethanamide ZINC2723006 IFLab1_002719 N-(2-ethoxyphenyl)-2-[(1-phenyl-2-imidazolyl)thio]acetamide AKOS024585909 CHEMBL1343699 MolPort-003-031-190 SR-01000123298 HMS1419L13 N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide 688335-54-8 MCULE-7664758161 N-o-phenetyl-2-[(1-phenylimidazol-2-yl)thio]acetamide BDBM37727 cid_3241796 N-(2-ethoxyphenyl)-2-((1-phenyl-1H-imidazol-2-yl)thio)acetamide SR-01000123298-1 HMS2299E05 N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-imidazol-2-yl)thio]acetamide AC1MMO5T [ Show all ]
Inchi Key	CXQUZZKPYSHPMV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N3O2S/c1-2-24-17-11-7-6-10-16(17)21-18(23)14-25-19-20-12-13-22(19)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,23)
PubChem CID	3241796
ChEMBL	CHEMBL1343699
IUPHAR	N/A
BindingDB	37727
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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