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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	SMR000016535
Molecular formula	C21H17N3O3S
IUPAC name	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
Molecular weight	391.445
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.8
Synonyms	N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide HMS2475J16 SR-01000130393 AC1MMIRH MolPort-000-478-475 ZINC4004675 CHEMBL1597278 N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)(3-methyl-6-phenylimidazo[2,1-b]1,3-thiaz olin-2-yl)carboxamide MLS000089447 SR-01000130393-1 AKOS001834660 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide F0650-0089 852133-64-3 MLS000102089 ST50115384 [ Show all ]
Inchi Key	JXUCHAKTXGLSLB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17N3O3S/c1-13-19(20(25)22-15-7-8-17-18(11-15)27-10-9-26-17)28-21-23-16(12-24(13)21)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,25)
PubChem CID	3239406
ChEMBL	CHEMBL1597278
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	3013.1 nM	PubChem BioAssay data set	ChEMBL
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL
Potency	30131.3 nM	PubChem BioAssay data set	ChEMBL

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