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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	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	SMR000078852 765934-95-0 MCULE-2761150158 AKOS003233734 NCGC00060616-02 3,4-dichloro-N-(2-furylmethyl)-N-(4-hydroxyphenyl)benzamide CHEMBL1302307 STK180083 AB00389397-10 MLS000051042 BBL024400 NCGC00060616-03 HMS2182P04 ZINC1071740 AC1LO9W2 MolPort-002-279-514 [ 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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