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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	SMR000065521
Molecular formula	C17H16N2O4S2
IUPAC name	3,4,5-trimethoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
Molecular weight	376.445
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.4
Synonyms	ZINC1505628 AKOS003628265 MLS000055193 3,4,5-trimethoxy-N-(4-thiophen-2-yl-2-thiazolyl)benzamide CHEMBL1540513 Oprea1_454021 300569-78-2 HMS2486E22 SR-01000394670-1 3,4,5-trimethoxy-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide BDBM33539 MLS002637011 3,4,5-trimethoxy-N-[4-(2-thienyl)thiazol-2-yl]benzamide cid_1547871 Z28307277 AC1LU5Y6 MCULE-8504298320 3,4,5-trimethoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide MolPort-003-009-136 3,4,5-trimethoxy-N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]benzamide F0012-0718 SR-01000394670 [ Show all ]
Inchi Key	JAQBWXRSKSVJFG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16N2O4S2/c1-21-12-7-10(8-13(22-2)15(12)23-3)16(20)19-17-18-11(9-25-17)14-5-4-6-24-14/h4-9H,1-3H3,(H,18,19,20)
PubChem CID	1547871
ChEMBL	CHEMBL1540513
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
Potency	42561.5 nM	PubChem BioAssay data set	ChEMBL
Potency	95283.4 nM	PubChem BioAssay data set	ChEMBL

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