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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	MLS000417430
Molecular formula	C20H18ClN3O4S
IUPAC name	1-(3-chlorophenyl)-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
Molecular weight	431.891
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.4
Synonyms	1-(3-chlorophenyl)-3-{3-[(2-methoxyphenyl)sulfamoyl]phenyl}urea cid_4178848 ZINC8686943 AC1N4H9Q STK964786 3-{[(3-chlorophenyl)carbamoyl]amino}-N-(2-methoxyphenyl)benzenesulfonamide HMS2514O18 AKOS024300287 MolPort-002-357-874 1-(3-chlorophenyl)-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea CHEMBL1517625 Z44591569 380332-63-8 MCULE-2600092377 BDBM95734 SMR000242621 [ Show all ]
Inchi Key	IYTDIHBYTAIGOJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18ClN3O4S/c1-28-19-11-3-2-10-18(19)24-29(26,27)17-9-5-8-16(13-17)23-20(25)22-15-7-4-6-14(21)12-15/h2-13,24H,1H3,(H2,22,23,25)
PubChem CID	4178848
ChEMBL	CHEMBL1517625
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	21331.3 nM	PubChem BioAssay data set	ChEMBL

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