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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	ASN 07460871
Molecular formula	C18H24N2O4S
IUPAC name	[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
Molecular weight	364.46
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	MCULE-8980086181 4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 2-methyl-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl ester SMR000008043 AKOS024315804 CHEMBL1611841 MLS000074930 AC1LCO60 [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate HMS2497F12 MLS002538194 AKOS000739823 [ Show all ]
Inchi Key	ABXDMCJXFUNBAS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H24N2O4S/c1-11(2)16(17(21)19-10-12-5-4-7-23-12)24-18(22)14-9-15-13(20(14)3)6-8-25-15/h6,8-9,11-12,16H,4-5,7,10H2,1-3H3,(H,19,21)
PubChem CID	653323
ChEMBL	CHEMBL1611841
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	1995.3 nM	PubChem BioAssay data set	ChEMBL

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