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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-[Benzenesulfonyl-(4-fluoro-phenyl)-amino]-N-furan-2-ylmethyl-acetamide
Molecular formula	C19H17FN2O4S
IUPAC name	2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(furan-2-ylmethyl)acetamide
Molecular weight	388.413
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.7
Synonyms	CHEMBL1528661 SMR000009017 AC1LDJD3 BAS 00491079 MLS000031024 CBMicro_029166 Oprea1_030967 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(furan-2-ylmethyl)acetamide HMS2310J09 ZINC655584 AG-690/36946040 BIM-0029194.P001 MLS002536185 2-[4-fluoro(phenylsulfonyl)anilino]-N-(2-furylmethyl)acetamide Oprea1_411149 AB00094955-01 MCULE-9434893831 AKOS000617241 Cambridge id 5728326 MolPort-001-936-098 [ Show all ]
Inchi Key	ADODOIQCZAIPFZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H17FN2O4S/c20-15-8-10-16(11-9-15)22(27(24,25)18-6-2-1-3-7-18)14-19(23)21-13-17-5-4-12-26-17/h1-12H,13-14H2,(H,21,23)
PubChem CID	649013
ChEMBL	CHEMBL1528661
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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