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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	MLS000109200
Molecular formula	C21H24N2O6S
IUPAC name	ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
Molecular weight	432.491
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.1
Synonyms	ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate REGID_for_CID_1081942 BAS 00315673 SR-01000395898 4-[4-Methyl-3-(morpholine-4-sulfonyl)-benzoylamino]-benzoic acid ethyl ester CHEMBL1390986 Oprea1_521540 AC1LLBXY ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate SCHEMBL13532180 BDBM79523 MolPort-001-895-598 SR-01000395898-1 4-[[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester cid_1081942 regid7974873 AKOS000731307 HMS2280O19 SMR000105146 4-[(4-methyl-3-morpholinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Oprea1_080062 ZINC797274 [ Show all ]
Inchi Key	CJIYULUIIQBLAZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N2O6S/c1-3-29-21(25)16-6-8-18(9-7-16)22-20(24)17-5-4-15(2)19(14-17)30(26,27)23-10-12-28-13-11-23/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)
PubChem CID	1081942
ChEMBL	CHEMBL1390986
IUPHAR	N/A
BindingDB	79523
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	3981.1 nM	PubChem BioAssay data set	ChEMBL
Potency	13459.1 nM	PubChem BioAssay data set	ChEMBL

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