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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	Indolo[2,3-b]quinoxalin-6-yl-acetic acid ethyl ester
Molecular formula	C18H15N3O2
IUPAC name	ethyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
Molecular weight	305.337
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.2
Synonyms	AC1LDB67 cid_645300 MCULE-1164662736 ST50332400 BDBM48903 ethyl 2-indolo[3,2-b]quinoxalin-6-ylethanoate Oprea1_306545 25681-03-2 CHEMBL1539939 HMS608P02 SR-01000467024 AKOS000528190 ethyl 2-indolo[2,3-b]quinoxalin-5-ylacetate MLS000035955 STL301016 2-(6-indolo[3,2-b]quinoxalinyl)acetic acid ethyl ester CCG-109349 ethyl 6H-indolo[2,3-b]quinoxalin-6-ylacetate Oprea1_645071 ChemDiv1_007724 SR-01000467024-1 BAS 00033013 ethyl 2-indolo[3,2-b]quinoxalin-6-ylacetate MolPort-000-678-275 ZINC358278 2-indolo[3,2-b]quinoxalin-6-ylacetic acid ethyl ester HMS2369P19 SMR000001010 [ Show all ]
Inchi Key	AHABQJDNQDDOMO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15N3O2/c1-2-23-16(22)11-21-15-10-6-3-7-12(15)17-18(21)20-14-9-5-4-8-13(14)19-17/h3-10H,2,11H2,1H3
PubChem CID	645300
ChEMBL	CHEMBL1539939
IUPHAR	N/A
BindingDB	48903
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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