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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	4,6-dimethyl-2-({2-[(4-methylphenyl)sulfonyl]ethyl}sulfanyl)nicotinonitrile
Molecular formula	C17H18N2O2S2
IUPAC name	4,6-dimethyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile
Molecular weight	346.463
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.5
Synonyms	HMS1685J03 STK932236 4,6-Dimethyl-2-[2-(toluene-4-sulfonyl)-ethylsulfanyl]-nicotinonitrile AKOS003681065 MLS000062838 RSC000787 4,6-dimethyl-2-({2-[(4-methylphenyl)sulfonyl]ethyl}thio)nicotinonitrile HMS2470C04 ZINC470642 500105-22-6 AM-807/43277212 MolPort-000-920-978 CHEMBL1570853 SMR000073750 4,6-dimethyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile MCULE-8426437809 AC1LHWBI BAS 06900261 MolPort-015-160-532 4,6-dimethyl-2-({2-[(4-methylphenyl)sulfonyl]ethyl}sulfanyl)pyridine-3-carbonitrile [ Show all ]
Inchi Key	ABSLNFJKZQBBAX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N2O2S2/c1-12-4-6-15(7-5-12)23(20,21)9-8-22-17-16(11-18)13(2)10-14(3)19-17/h4-7,10H,8-9H2,1-3H3
PubChem CID	894037
ChEMBL	CHEMBL1570853
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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