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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000394125
Molecular formula	C22H25N3O5S
IUPAC name	2-butyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1,3-dioxoisoindole-5-carboxamide
Molecular weight	443.518
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.5
Synonyms	MCULE-6980001265 AB00542596-02 SMR000247719 CHEMBL1462123 2-butyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide AKOS000920146 Z26500160 HMS2511F03 919916-24-8 MolPort-003-199-007 ZINC8692861 [ Show all ]
Inchi Key	JQECRWINANQWRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25N3O5S/c1-5-6-11-25-21(27)17-10-8-15(12-18(17)22(25)28)20(26)23-16-9-7-14(2)19(13-16)31(29,30)24(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,26)
PubChem CID	15945376
ChEMBL	CHEMBL1462123
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
Potency	23934.1 nM	PubChem BioAssay data set	ChEMBL

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