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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	SMR000072988
Molecular formula	C17H15ClN2O4
IUPAC name	5-[(4-chloro-3-methylphenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
Molecular weight	346.767
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	AC1LHRE6 HMS2432E24 ST50285364 BRD-K56230441-001-01-6 MLS000089230 5-[(4-chloro-3-methylphenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide ChemDiv3_006129 Oprea1_592795 AKOS000664129 IDI1_024039 ZINC467656 MLS002541689 5-[(4-chloro-3-methylphenoxy)methyl]-N-(5-methyl-3-isoxazolyl)-2-furamide HMS1490G13 BAS 08302313 MCULE-2930667352 {5-[(4-chloro-3-methylphenoxy)methyl](2-furyl)}-N-(5-methylisoxazol-3-yl)carbo xamide CHEMBL1510847 MolPort-002-012-887 [ Show all ]
Inchi Key	AAPGGKLFVOWVRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H15ClN2O4/c1-10-7-12(3-5-14(10)18)22-9-13-4-6-15(23-13)17(21)19-16-8-11(2)24-20-16/h3-8H,9H2,1-2H3,(H,19,20,21)
PubChem CID	891889
ChEMBL	CHEMBL1510847
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	6309.6 nM	PubChem BioAssay data set	ChEMBL

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