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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	SMR000028904
Molecular formula	C21H22N6O3
IUPAC name	8,9-dimethoxy-N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
Molecular weight	406.446
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.7
Synonyms	MolPort-007-664-637 AKOS004917156 CHEMBL1402196 SR-01000135210 8,9-dimethoxy-2-pyridin-3-yl-N-(tetrahydrofuran-2-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine MLS000093282 902949-78-4 CCG-31615 regid4247604 HMS2446J18 SR-01000135210-1 8,9-dimethoxy-N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine MLS001367458 AC1MMO5K MCULE-8056223680 Z1172116136 8,9-dimethoxy-N-[(oxolan-2-yl)methyl]-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine [ Show all ]
Inchi Key	AANGWBRVHPYSBI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22N6O3/c1-28-17-9-15-16(10-18(17)29-2)24-21(23-12-14-6-4-8-30-14)27-20(15)25-19(26-27)13-5-3-7-22-11-13/h3,5,7,9-11,14H,4,6,8,12H2,1-2H3,(H,23,24)
PubChem CID	3241793
ChEMBL	CHEMBL1402196
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

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