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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	3,4-dichloro-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)benzamide
Molecular formula	C18H13Cl2NO3
IUPAC name	3,4-dichloro-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)benzamide
Molecular weight	362.206
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.4
Synonyms	MolPort-002-279-514 AC1LO9W2 SMR000078852 MCULE-2761150158 765934-95-0 NCGC00060616-02 AKOS003233734 CHEMBL1302307 STK180083 3,4-dichloro-N-(2-furylmethyl)-N-(4-hydroxyphenyl)benzamide MLS000051042 AB00389397-10 NCGC00060616-03 BBL024400 HMS2182P04 ZINC1071740 [ Show all ]
Inchi Key	ACQXRJPXLVSBIT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13Cl2NO3/c19-16-8-3-12(10-17(16)20)18(23)21(11-15-2-1-9-24-15)13-4-6-14(22)7-5-13/h1-10,22H,11H2
PubChem CID	1259859
ChEMBL	CHEMBL1302307
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	3981.1 nM	PubChem BioAssay data set	ChEMBL

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