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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	MLS000103636
Molecular formula	C20H17FN4OS
IUPAC name	5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Molecular weight	380.441
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	AKOS024609914 5-((3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol CHEMBL1589687 5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol AB00433449-05 HMS2246E13 BDBM96581 MolPort-003-074-544 5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol cid_5310397 868220-31-9 AC1NSIU6 MCULE-4875565476 SMR000017879 5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol F1805-0175 [ Show all ]
Inchi Key	BFRCUVAYFFBWKT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H17FN4OS/c21-16-7-5-14(6-8-16)17(18-19(26)25-20(27-18)22-12-23-25)24-10-9-13-3-1-2-4-15(13)11-24/h1-8,12,17,26H,9-11H2
PubChem CID	5310397
ChEMBL	CHEMBL1589687
IUPHAR	N/A
BindingDB	96581
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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