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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.
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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	MLS001209947
Molecular formula	C17H12ClN3O4S
IUPAC name	(5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
Molecular weight	389.81
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.5
Synonyms	(5Z)-2-(2-chloroanilino)-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one BAS 00336165 SMR000513525 2-(2-Chloro-phenylimino)-5-(2-methoxy-3-nitro-benzylidene)-thiazolidin-4-one CHEMBL1494282 AG-690/36169036 (5Z)-2-(2-chloroanilino)-5-[(2-methoxy-3-nitrophenyl)methylidene]-4-thiazolone BDBM78362 ZINC4471582 2-[(2-chlorophenyl)imino]-5-{3-nitro-2-methoxybenzylidene}-1,3-thiazolidin-4-one cid_1205434 (5Z)-2-(2-chloroanilino)-5-(2-methoxy-3-nitro-benzylidene)-2-thiazolin-4-one AKOS000542196 MolPort-019-764-962 (5Z)-2-[(2-chlorophenyl)amino]-5-[(2-methoxy-3-nitro-phenyl)methylidene]-1,3-thiazol-4-one HMS2823O15 [ Show all ]
Inchi Key	AJZSDZUZDNNHMY-ZROIWOOFSA-N
Inchi ID	InChI=1S/C17H12ClN3O4S/c1-25-15-10(5-4-8-13(15)21(23)24)9-14-16(22)20-17(26-14)19-12-7-3-2-6-11(12)18/h2-9H,1H3,(H,19,20,22)/b14-9-
PubChem CID	135411696
ChEMBL	CHEMBL1494282
IUPHAR	N/A
BindingDB	78362
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	75686.3 nM	PubChem BioAssay data set	ChEMBL

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