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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	SMR000033485
Molecular formula	C23H28ClN5O4
IUPAC name	2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
Molecular weight	473.958
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.7
Synonyms	AC1MMM13 MLS000047474 regid4246510 2-[4-[2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl]piperazino]-N-(2-chlorophenyl)acetamide 2-[4-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2-chlorophenyl)ethanamide HMS2278L20 AKOS002143079 MLS001389017 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-1-piperazinyl]-N-(2-chlorophenyl)acetamide CHEMBL1361876 AB00416638-09 MCULE-1867036536 BDBM62689 MolPort-007-953-262 2-(4-{2-[5-(acetylamino)-2-methoxyanilino]-2-oxoethyl}tetrahydro-1-pyrazinyl)-N-(2-chlorophenyl)acetamide 2-[4-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide cid_3240849 ZINC19360354 [ Show all ]
Inchi Key	ACRIENBXIIVXCZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28ClN5O4/c1-16(30)25-17-7-8-21(33-2)20(13-17)27-23(32)15-29-11-9-28(10-12-29)14-22(31)26-19-6-4-3-5-18(19)24/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)
PubChem CID	3240849
ChEMBL	CHEMBL1361876
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	1258.9 nM	PubChem BioAssay data set	ChEMBL

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