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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	SMR000204386
Molecular formula	C12H13NO5
IUPAC name	ethyl 2-[2-[(Z)-2-nitroethenyl]phenoxy]acetate
Molecular weight	251.238
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.4
Synonyms	CHEMBL1361821 MolPort-002-698-587 A1340/0060498 ethyl 2-[2-[(Z)-2-nitroethenyl]phenoxy]ethanoate SR-01000089866-1 BDBM63203 MCULE-8526961317 ZINC4474188 2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl ester cid_5286552 AC1NR7WF ethyl {2-[(Z)-2-nitroethenyl]phenoxy}acetate STK673104 MLS000586023 2-[2-[(Z)-2-nitrovinyl]phenoxy]acetic acid ethyl ester ethyl 2-[2-[(Z)-2-nitroethenyl]phenoxy]acetate SR-01000089866 AKOS005593158 ethyl {2-[(Z)-2-nitrovinyl]phenoxy}acetate VU0268560-2 [ Show all ]
Inchi Key	AKHFFHDDAUYJKO-FPLPWBNLSA-N
Inchi ID	InChI=1S/C12H13NO5/c1-2-17-12(14)9-18-11-6-4-3-5-10(11)7-8-13(15)16/h3-8H,2,9H2,1H3/b8-7-
PubChem CID	5286552
ChEMBL	CHEMBL1361821
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	7568.6 nM	PubChem BioAssay data set	ChEMBL
Potency	30131.3 nM	PubChem BioAssay data set	ChEMBL

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