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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	MLS001177315
Molecular formula	C25H26N2O4
IUPAC name	N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
Molecular weight	418.493
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.8
Synonyms	878212-71-6 HMS2899H04 Z31870592 AKOS034173564 MolPort-004-153-571 CHEMBL1478397 N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide MCULE-3525273564 ZINC8036809 BDBM97141 N-[2-keto-2-[methyl(o-veratryl)amino]ethyl]-4-phenyl-benzamide 2-({[1,1'-biphenyl]-4-yl}formamido)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide cid_9166749 SMR000595026 AC1PMG7S N-[2-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-4-phenyl-benzamide [ Show all ]
Inchi Key	CZYJLQYRCXIZPK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26N2O4/c1-27(17-21-10-7-11-22(30-2)24(21)31-3)23(28)16-26-25(29)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15H,16-17H2,1-3H3,(H,26,29)
PubChem CID	9166749
ChEMBL	CHEMBL1478397
IUPHAR	N/A
BindingDB	97141
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	23934.1 nM	PubChem BioAssay data set	ChEMBL
Potency	26854.5 nM	PubChem BioAssay data set	ChEMBL

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