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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	2,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
Molecular formula	C11H8Cl2N2O2S
IUPAC name	2,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
Molecular weight	303.157
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.6
Synonyms	cid_669152 STK049919 2,5-dichloro-N-(3-pyridinyl)benzenesulfonamide AC1LDLNS BAS 00627780 MLS-0004543.0001 [(2,5-dichlorophenyl)sulfonyl]-3-pyridylamine 2,5-dichloro-N-(pyridin-3-yl)benzenesulfonamide SMR000111612 326901-89-7 HMS2470M18 Z45654081 2,5-dichloro-N-(3-pyridyl)benzenesulfonamide AG-690/11635577 BDBM45891 MLS000107240 2,5-Dichloro-N-pyridin-3-yl-benzenesulfonamide CHEMBL1408562 ST042725 2,5-bis(chloranyl)-N-pyridin-3-yl-benzenesulfonamide AB00088312-01 AKOS000673269 MCULE-3519758305 ZINC29680 2,5-dichloro-N-(pyridin-3-yl)benzene-1-sulfonamide Cambridge id 5544364 MolPort-001-510-627 [ Show all ]
Inchi Key	AHJBWVSIWIQXIW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H8Cl2N2O2S/c12-8-3-4-10(13)11(6-8)18(16,17)15-9-2-1-5-14-7-9/h1-7,15H
PubChem CID	669152
ChEMBL	CHEMBL1408562
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	119955.0 nM	PubChem BioAssay data set	ChEMBL

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