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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	SMR000033389
Molecular formula	C23H24N4O2
IUPAC name	N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Molecular weight	388.471
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.6
Synonyms	697282-58-9 JS-2032 N-(4-phenoxyphenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]acetamide N-(4-phenoxyphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide BDBM45364 MLS000047378 SR-01000607661-2 cid_3237037 N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide AC1MMDHK KS-00003M7O N-(4-phenoxyphenyl)-2-[4-(2-pyridinyl)piperazino]acetamide MolPort-002-078-291 ZINC4111685 HMS2301O14 N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide AKOS002133075 MCULE-5660087991 N-(4-phenoxyphenyl)-2-[4-(2-pyridyl)piperazino]acetamide SR-01000607661 CHEMBL1527459 N-(4-PHENOXYPHENYL)-2-(4-(2-PYRIDINYL)-1-PIPERAZINYL)ACETAMIDE [ Show all ]
Inchi Key	IREYBTTUTCTPMN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24N4O2/c28-23(18-26-14-16-27(17-15-26)22-8-4-5-13-24-22)25-19-9-11-21(12-10-19)29-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,25,28)
PubChem CID	3237037
ChEMBL	CHEMBL1527459
IUPHAR	N/A
BindingDB	45364
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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