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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	MLS000078748
Molecular formula	C20H22N4O3
IUPAC name	2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate
Molecular weight	366.421
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.6
Synonyms	HMS2303I07 2-[3-[bis(prop-2-enyl)amino]-2-quinoxalinyl]-2-cyanoacetic acid 2-methoxyethyl ester AKOS005474936 MLS002582161 CHEMBL1559433 STK546425 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate MCULE-4551906770 496773-80-9 BDBM74581 MolPort-002-578-662 2-cyano-2-[3-(diallylamino)quinoxalin-2-yl]acetic acid 2-methoxyethyl ester cid_660819 2-methoxyethyl cyano[3-(diprop-2-en-1-ylamino)quinoxalin-2-yl]acetate AC1LD3UY SMR000041510 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyano-ethanoate [ Show all ]
Inchi Key	ACVMJYMVYNOSNH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N4O3/c1-4-10-24(11-5-2)19-18(15(14-21)20(25)27-13-12-26-3)22-16-8-6-7-9-17(16)23-19/h4-9,15H,1-2,10-13H2,3H3
PubChem CID	660819
ChEMBL	CHEMBL1559433
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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