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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	MLS000091453
Molecular formula	C20H22N2O3S
IUPAC name	N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
Molecular weight	370.467
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.8
Synonyms	3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide HMS2331F10 SMR000026008 BDBM56977 N-benzyl-3,5-dimethyl-N-(2-phenylethyl)isoxazole-4-sulfonamide CHEMBL1369522 N-Benzyl-N-phenethyl-3,5-dimethylisoxazole-4-sulfonamide AC1MMJ2H SR-01000105379 CHEBI:109097 N-benzyl-3,5-dimethyl-N-phenethyl-1,2-oxazole-4-sulfonamide 3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-1,2-oxazole-4-sulfonamide cid_3239540 REGID_for_CID_3239540 AKOS000972652 N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide SR-01000105379-1 N-benzyl-3,5-dimethyl-N-phenethyl-isoxazole-4-sulfonamide [ Show all ]
Inchi Key	AGBLCCFQXJWYBS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2O3S/c1-16-20(17(2)25-21-16)26(23,24)22(15-19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3
PubChem CID	3239540
ChEMBL	CHEMBL1369522
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	6309.6 nM	PubChem BioAssay data set	ChEMBL

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