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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SMR000055040
Molecular formula	C19H16O6
IUPAC name	methyl 2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetate
Molecular weight	340.331
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.5
Synonyms	CHEMBL1311143 methyl [(2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate AKOS000574473 HMS2371C20 Oprea1_295637 BRD-K49621849-001-07-1 methyl 2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetate STK921449 2-[(2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl)oxy]acetic acid methyl ester cid_722777 MLS000105111 AC1LF4AW BAS 00480354 MCULE-2751705320 Oprea1_803247 (2-Methyl-4-oxo-3-phenoxy-4H-chromen-7-yloxy)-acetic acid methyl ester methyl 2-[(2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate ZINC127102 303798-43-8 EiM07-28797 MolPort-000-653-862 AC1Q4499 BDBM37802 methyl 2-(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl)oxyethanoate 2-(4-keto-2-methyl-3-phenoxy-chromen-7-yl)oxyacetic acid methyl ester [ Show all ]
Inchi Key	AKNHFZVXJDNNJF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16O6/c1-12-19(25-13-6-4-3-5-7-13)18(21)15-9-8-14(10-16(15)24-12)23-11-17(20)22-2/h3-10H,11H2,1-2H3
PubChem CID	722777
ChEMBL	CHEMBL1311143
IUPHAR	N/A
BindingDB	37802
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	3981.1 nM	PubChem BioAssay data set	ChEMBL

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