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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	6060-00-0
Molecular formula	C26H19N5O3
IUPAC name	2-[2-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
Molecular weight	449.47
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.9
Synonyms	AKOS000661192 DTXSID30362244 ZINC1211538 2-[2-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione BRD-K85265551-001-02-1 MolPort-001-966-594 SMR000105679 BAS 01817183 MCULE-4130479553 2-{2-[3-(1-Methyl-1H-benzimidazol-2-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione Cambridge id 6060000 Oprea1_473931 AC1LRCG6 CHEMBL1533123 ST50255172 BIM-0043015.P001 MLS000109740 2-{2-[3-(1-methylbenzimidazol-2-yl)-4-oxo-3-hydroquinazolin-2-yl]ethyl}benzo[c ]azoline-1,3-dione CBMicro_042896 Oprea1_877404 [ Show all ]
Inchi Key	AGBKCOAATCRWNI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H19N5O3/c1-29-21-13-7-6-12-20(21)28-26(29)31-22(27-19-11-5-4-10-18(19)25(31)34)14-15-30-23(32)16-8-2-3-9-17(16)24(30)33/h2-13H,14-15H2,1H3
PubChem CID	1366419
ChEMBL	CHEMBL1533123
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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