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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	MLS000059215
Molecular formula	C23H25N3O
IUPAC name	1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
Molecular weight	359.473
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.1
Synonyms	AC1LQLSN 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-yl-piperazine Oprea1_374709 1-[3-(benzyloxy)benzyl]-4-(pyridin-2-yl)piperazine HMS2433E21 STL328292 1-(3-benzoxybenzyl)-4-(2-pyridyl)piperazine AKOS022096006 MLS002539761 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine CHEMBL1379426 SCHEMBL12259121 AB00085429-01 MCULE-3960651724 ZINC1229294 1-[(3-phenylmethoxyphenyl)methyl]-4-(2-pyridinyl)piperazine BDBM62764 MolPort-002-150-263 1-[3-(benzyloxy)benzyl]-4-(2-pyridinyl)piperazine cid_1378308 SMR000069679 [ Show all ]
Inchi Key	IKWKOVXTRGCSEM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25N3O/c1-2-7-20(8-3-1)19-27-22-10-6-9-21(17-22)18-25-13-15-26(16-14-25)23-11-4-5-12-24-23/h1-12,17H,13-16,18-19H2
PubChem CID	1378308
ChEMBL	CHEMBL1379426
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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