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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	SMR000023652
Molecular formula	C21H18N2O2
IUPAC name	4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
Molecular weight	330.387
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.6
Synonyms	4,5-dihydrobenz[g]indoxazen-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone MLS000087429 BDBM41402 3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-4,5-dihydronaphtho[2,1-d]isoxazole CHEMBL1407298 AC1MMLZX CCG-27563 4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone cid_3240834 AKOS001798299 [ Show all ]
Inchi Key	AFWYPXFMWSVCIU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18N2O2/c24-21(23-12-11-14-5-1-2-7-16(14)13-23)19-18-10-9-15-6-3-4-8-17(15)20(18)25-22-19/h1-8H,9-13H2
PubChem CID	3240834
ChEMBL	CHEMBL1407298
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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