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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	MLS000096632
Molecular formula	C16H18N2O5S
IUPAC name	ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate
Molecular weight	350.389
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.6
Synonyms	HMS2502J04 {4-[(Pyridin-4-ylmethyl)-sulfamoyl]-phenoxy}-acetic acid ethyl ester cid_1082996 MLS002541912 BAS 06188254 ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]ethanoate SMR000073796 2-[4-(4-pyridylmethylsulfamoyl)phenoxy]acetic acid ethyl ester CHEMBL1382898 MCULE-8143442187 AC1LLE85 ethyl (4-{[(4-pyridinylmethyl)amino]sulfonyl}phenoxy)acetate MolPort-002-003-770 BDBM42040 HMS1374K04 ZINC798692 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid ethyl ester ChemDiv2_001984 AKOS000603061 ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate regid4264959 [ Show all ]
Inchi Key	INMOBAGWVIAPNU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N2O5S/c1-2-22-16(19)12-23-14-3-5-15(6-4-14)24(20,21)18-11-13-7-9-17-10-8-13/h3-10,18H,2,11-12H2,1H3
PubChem CID	1082996
ChEMBL	CHEMBL1382898
IUPHAR	N/A
BindingDB	42040
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	5011.9 nM	PubChem BioAssay data set	ChEMBL

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