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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	N-(2,5-dimethoxyphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
Molecular formula	C19H19NO4
IUPAC name	N-(2,5-dimethoxyphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
Molecular weight	325.364
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.4
Synonyms	BRD-K23937197-001-01-2 MLS000066498 ST50124047 AC1LNU3U HMS2494H11 SR-01000295721 CBKinase1_011285 MLS002548235 STK882332 CHEMBL1426506 N-(2,5-dimethoxyphenyl)-2-(5-methylbenzo[b]furan-3-yl)acetamide AKOS001513675 MCULE-7530100179 SR-01000295721-1 CBKinase1_023685 MolPort-000-371-202 ZINC1062643 HMS1631J02 SMR000081559 [ Show all ]
Inchi Key	AEBRADGYKFROFI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19NO4/c1-12-4-6-17-15(8-12)13(11-24-17)9-19(21)20-16-10-14(22-2)5-7-18(16)23-3/h4-8,10-11H,9H2,1-3H3,(H,20,21)
PubChem CID	1252423
ChEMBL	CHEMBL1426506
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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