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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	SMR000082223
Molecular formula	C20H28N2O4S
IUPAC name	N-(3-morpholin-4-ylpropyl)-4-propoxynaphthalene-1-sulfonamide
Molecular weight	392.514
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	AKOS001415934 MolPort-002-297-016 ZINC19619408 CHEMBL1520663 (3-morpholin-4-ylpropyl)[(4-propoxynaphthyl)sulfonyl]amine MLS000052640 ST50778924 AP-263/43241440 N-(3-morpholin-4-ylpropyl)-4-propoxynaphthalene-1-sulfonamide HMS2277H18 SR-01000298893 AC1M3F3P MLS002548555 UPCMLD0ENAT5941484:001 N-[3-(4-morpholinyl)propyl]-4-propoxy-1-naphthalenesulfonamide MCULE-3493367491 SR-01000298893-1 [ Show all ]
Inchi Key	ABWNKYVGNKIEEL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H28N2O4S/c1-2-14-26-19-8-9-20(18-7-4-3-6-17(18)19)27(23,24)21-10-5-11-22-12-15-25-16-13-22/h3-4,6-9,21H,2,5,10-16H2,1H3
PubChem CID	2236728
ChEMBL	CHEMBL1520663
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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