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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Azepexole
Molecular formula	C9H15N3O
IUPAC name	6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
Molecular weight	181.239
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	0.8
Synonyms	Azepexol B HT-933 CHEMBL149616 LS-174581 PDSP1_000622 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine Azepexole [BAN:INN] BHT-933 FCH842462 NCGC00015131-03 SCHEMBL563453 2-Amino-6-ethyl-5,6,7,8-tetrahydro-4H-oxazolo(4,5-d)azepine ACM36067739 Azepexolum [INN-Latin] CCG-204272 Lopac-B-161 NSC_169743 4H-oxazolo(4,5-d)azepin-2-amine, 6-ethyl-5,6,7,8-tetrahydro- 6-ethyl-4H,5H,6H,7H,8H-[1,3]oxazolo[4,5-d]azepin-2-amine Azepexol [INN-Spanish] BDBM85676 DGB112538O NCGC00015131-01 PDSP2_000179 AC1L1DBL Azepexole [INN:BAN] C9H15N3O FT-0692874 NCGC00015131-04 UNII-DGB112538O 36067-72-8 (di-hydrochloride) AKOS006273695 azepoxol Lopac0_000177 PDSP1_000180 4H-Oxazolo(4,5-d)azepin-2-amine, 6-ethyl-5,6,7,8-tetrahydro-, dihydrochloride 6-ethyl-5,6,7,8-tetrahydro-4h-oxazolo[4,5-d]azepin-2-amine BHT 933 DTXSID1048419 NCGC00015131-02 PDSP2_000619 AC1Q4W5J Azepexolum CAS_128-37-0 KB-47467 NCGC00162081-01 ZINC982 36067-73-9 [ Show all ]
Inchi Key	ZNXAJGZPUQOEDZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H15N3O/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7/h2-6H2,1H3,(H2,10,11)
PubChem CID	2277
ChEMBL	CHEMBL149616
IUPHAR	N/A
BindingDB	85676
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	6.3 nM	PubChem BioAssay data set	ChEMBL

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