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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	AC1LORZK
Molecular formula	C17H19FN2OS
IUPAC name	(5-ethylthiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Molecular weight	318.41
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.9
Synonyms	SMR000080471 AKOS003352555 HMS2446O15 ST50858062 (5-ethylthiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone MolPort-001-613-985 5-ethyl(2-thienyl) 4-(4-fluorophenyl)piperazinyl ketone SR-01000291799 MCULE-6572330991 STK463466 (5-ethylthiophen-2-yl)[4-(4-fluorophenyl)piperazin-1-yl]methanone REGID_for_CID_1245963 CHEMBL1605370 SR-01000291799-1 MLS000065786 ZINC1054496 1-[(5-ethyl-2-thienyl)carbonyl]-4-(4-fluorophenyl)piperazine [ Show all ]
Inchi Key	ABSCDJBZRCWAFR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19FN2OS/c1-2-15-7-8-16(22-15)17(21)20-11-9-19(10-12-20)14-5-3-13(18)4-6-14/h3-8H,2,9-12H2,1H3
PubChem CID	1245963
ChEMBL	CHEMBL1605370
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	31622.8 nM	PubChem BioAssay data set	ChEMBL

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