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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	cystamine
Molecular formula	C4H12N2S2
IUPAC name	2-(2-aminoethyldisulfanyl)ethanamine
Molecular weight	152.274
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	-1.0
Synonyms	beta-Mercaptoethylamine disulfide CHEBI:78757 Cystineamine Ethanamine,2,2'-dithiobis- KBio3_002937 MFCD01002952 0FEBEABE-F9D6-44CA-B070-61908595E698 NCGC00096574-02 2,2'-Dithiobis[ethylamine] NSC39322 3,4-Dithiahexyl-1,6-diamine Spectrum5_001336 AKOS005431478 BP-22847 CTK4J4981 DivK1c_000828 IDI1_000828 Lopac-C-7255 NCGC00013459-02 16214-16-7 (sulfate) NCI60_004921 2-(2-aminoethyldisulfanyl)ethylamine SCHEMBL43866 51-85-4 UNII-R110LV8L02 APQPRKLAWCIJEK-UHFFFAOYSA-N Becaptan disulfure [French] C4H12N2S2 Cystinamin EN300-60838 KBio2_004574 MCULE-9351804410 .beta.,.beta.'-Diaminodiethyl disulfide NCGC00013459-05 2,2'-Dithiobis(ethylamine) NINDS_000828 2-[(2-Aminoethyl)disulfanyl]ethylamine # Spectrum3_001897 ACM51854 Bis(.beta.-aminoethyl)disulfide Decarboxycystine ETHYLAMINE, 2,2'-DITHIOBIS- KBioGR_001405 MolPort-002-507-646 101418-33-1 (calcium salt) NCI39322 2-((2-aminoethyl)dithio)ethylamine NSC613802 3056-EP2311464A1 Spectrum_001526 Aminoethyl-SS-ethylamine BRN 1736027 DTXSID60199005 KBio1_000828 Lopac0_000297 NCGC00013459-03 17173-68-1 (hydrochloride) NCIStruc1_000465 2-Aminoethyl disulfide SPBio_001582 56-17-7 (di-hydrochloride) ZINC1671299 BBL010640 beta,beta'-Diaminodiethyl disulfide CCG-37943 Cystinamin [German] Ethanamine, 2,2'-dithiobis- KBio2_007142 Mercamine disulfide .beta.-Mercaptoethylamine disulfide NCGC00096574-01 2,2'-Dithiobisethanamine NSC-39322 21198-98-1 (di-hydrobromide) Spectrum4_000833 AJ-29205 Bis(beta-aminoethyl)disulfide CHEMBL61350 Diaminodiethyldisulfide H2758 KBioSS_002006 NCGC00013459 1591 L NCI60_003711 2-(2-aminoethyldisulfanyl)ethanamine R110LV8L02 4-04-00-01577 (Beilstein Handbook Reference) STK386775 AN-41680 BSPBio_003434 Cysteinamine disulfide EINECS 200-129-4 KBio2_002006 LS-68218 NCGC00013459-04 2,2'-disulfanediyldiethanamine NCIStruc2_000420 2-Mercaptoethylamine (oxidized) Spectrum2_001591 AC1L1ERE Becaptan disulfure [ Show all ]
Inchi Key	APQPRKLAWCIJEK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2
PubChem CID	2915
ChEMBL	CHEMBL61350
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	6309.6 nM	PubChem BioAssay data set	ChEMBL

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