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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	SMR000119525
Molecular formula	C22H25F3N2O3
IUPAC name	N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
Molecular weight	422.448
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.7
Synonyms	HMS2382P22 AKOS000802007 MLS002538425 MCULE-2107148834 AKOS024316339 N-(Cyclohexylcarbamoyl-furan-2-yl-methyl)-2,2,2-trifluoro-N-phenethyl-acetamide CHEMBL1496220 AC1ML8D8 MLS000122112 ASN 05990728 N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-phenethylacetamide [ Show all ]
Inchi Key	FRZVXUNJFRLXDY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25F3N2O3/c23-22(24,25)21(29)27(14-13-16-8-3-1-4-9-16)19(18-12-7-15-30-18)20(28)26-17-10-5-2-6-11-17/h1,3-4,7-9,12,15,17,19H,2,5-6,10-11,13-14H2,(H,26,28)
PubChem CID	3215983
ChEMBL	CHEMBL1496220
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	21331.3 nM	PubChem BioAssay data set	ChEMBL

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