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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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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	Dimethyl-[6-(2-piperidin-1-yl-ethoxy)-benzothiazol-2-yl]-amine
Molecular formula	C16H23N3OS
IUPAC name	N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine
Molecular weight	305.44
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	ST50001194 AKOS000538652 N,N-Dimethyl-6-[2-(1-piperidinyl)ethoxy]-1,3-benzothiazol-2-amine # Oprea1_822754 Cambridge id 5213909 HMS2416H13 SR-01000390823 AEJVCCNCKQDWCR-UHFFFAOYSA-N CHEMBL1571899 MolPort-001-923-662 N,N-dimethyl-6-[2-(piperidin-1-yl)ethoxy]-1,3-benzothiazol-2-amine STK526313 BAS 00318994 dimethyl[6-(2-piperidylethoxy)benzothiazol-2-yl]amine REGID_for_CID_566936 312727-41-6 CBDivE_004847 MCULE-7394617993 SR-01000390823-1 AG-690/33780016 CTK6I0042 N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine Oprea1_221497 ZINC275257 Benzotiazole, 2-dimethylamino-6-[ 2-(1-piperidyl)etoxy]- HMS1675E18 SMR000051257 AC1LBZG1 MLS000104208 [ Show all ]
Inchi Key	AEJVCCNCKQDWCR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H23N3OS/c1-18(2)16-17-14-7-6-13(12-15(14)21-16)20-11-10-19-8-4-3-5-9-19/h6-7,12H,3-5,8-11H2,1-2H3
PubChem CID	566936
ChEMBL	CHEMBL1571899
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	5011.9 nM	PubChem BioAssay data set	ChEMBL

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