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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	MLS000037786
Molecular formula	C19H14N2O3S
IUPAC name	methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate
Molecular weight	350.392
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.7
Synonyms	methyl {[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanyl}acetate ZINC17440313 BDBM44430 cid_658573 MolPort-002-550-300 2-[[3-cyano-4-(2-furanyl)-6-phenyl-2-pyridinyl]thio]acetic acid methyl ester methyl 2-[3-cyano-4-(furan-2-yl)-6-phenyl-pyridin-2-yl]sulfanylethanoate SMR000039557 AC1LCZ0F HMS2381F19 Oprea1_468742 2-[[3-cyano-4-(2-furyl)-6-phenyl-2-pyridyl]thio]acetic acid methyl ester methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate STL326426 AKOS022113688 CHEMBL1583671 MLS002581557 MCULE-6857384774 REGID_for_CID_658573 372153-92-9 [ Show all ]
Inchi Key	ACIZZXXGRGTORB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H14N2O3S/c1-23-18(22)12-25-19-15(11-20)14(17-8-5-9-24-17)10-16(21-19)13-6-3-2-4-7-13/h2-10H,12H2,1H3
PubChem CID	658573
ChEMBL	CHEMBL1583671
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	6309.6 nM	PubChem BioAssay data set	ChEMBL
Potency	33807.8 nM	PubChem BioAssay data set	ChEMBL

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