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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.
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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	Ethyl 4-(4-(4-chlorophenyl)thiazol-2-yl)piperazine-1-carboxylate
Molecular formula	C16H18ClN3O2S
IUPAC name	ethyl 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
Molecular weight	351.849
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	AKOS003272411 MCULE-5199602449 ST025480 CHEMBL1550204 MolPort-001-510-236 ethyl 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazinecarboxylate SR-01000453009 346662-91-7 Cambridge id 6979744 MLS000112678 ZINC1083195 Oprea1_289661 AC1LOSPE HMS2505A23 SR-01000453009-1 MLS002541117 ethyl 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate SMR000108588 [ Show all ]
Inchi Key	AGQZNIGGIBWSLJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18ClN3O2S/c1-2-22-16(21)20-9-7-19(8-10-20)15-18-14(11-23-15)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3
PubChem CID	1269494
ChEMBL	CHEMBL1550204
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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