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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	1-Methylhistamine
Molecular formula	C6H11N3
IUPAC name	2-(1-methylimidazol-4-yl)ethanamine
Molecular weight	125.175
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	-0.6
Synonyms	Ntau-Methylhistamine 1-Methyl-4-(beta-aminoethyl)imidazole ZINC403051 1H-Imidazole-4-ethanamine,1-methyl- 4-(2-Aminoethyl)-1-methylimidazole AKOS006350836 CHEMBL507 FT-0701318 L000842 N(sup 1)-Methylhistamine NCGC00015677-01 NCGC00162240-01 1,4-methylhistamine SB15504 2-(1-Methyl-1H-imidazol-4-yl)ethylamine BRN 0110757 D0A4XL Histamine, 1-methyl- LS-78032 N-tele-Methylhistamine NSC66736 1-Methyl-4-(2-aminoethyl)imidazole Tele-methylhistamine 1H-Imidazole-4-ethanamine, 1-methyl- 4-(1-aminoethyl)-1-methyl-1H-imidazole AC1Q4VOV CHEBI:29009 FHQDWPCFSJMNCT-UHFFFAOYSA-N Imidazole, 4-(2-aminoethyl)-1-methyl- (8CI) N( 1)-Methylhistamine N.tau.-Methylhistamine PDSP1_000511 1-Methyl-4-histamine [2-(1-methyl-1H-imidazol-4-yl)ethyl]amine 2-(1-methyl-1H-imidazol-4-yl)ethan-1-amine 5-25-09-00527 (Beilstein Handbook Reference) AS-50436 CS-0054396 GTPL1241 Lopac-M-4910 N(tele)-methylhistamine NCGC00015677-02 NSC 66736 1-Methyl-1H-imidazole-4-ethanamine SCHEMBL196356 2-(1-Methyl-1H-imidazol-4-yl)ethylamine # AC1L1GBQ C05127 D0T6SC HY-W062542 MCULE-7688329107 N-Telle-methylhistamine NT-methylhistamine 1-methyl-4-(b-aminoethyl)imidazole UNII-KCB81T4EOF 1H-Imidazole-4-ethanamine, 1-methyl- (9CI) 4-(2-aminoethyl)-1-methyl-Imidazole AF9B9F65-564B-4C50-B4AF-F195114242DE FT-0608087 KCB81T4EOF N(1)-methylhistamine N1-Methylhistamine NCGC00015677-03 PDSP2_000509 2-(1-methyl-1H-imidazol-4-yl)ethanamine 501-75-7 BDBM50198912 CTK4J2221 GTPL1242 Lopac0_000757 N-tele methylhistamine NSC-66736 1-Methyl-4-(.beta.-aminoethyl)imidazole SCHEMBL3826532 1H-IMIDAZOLE, 4-(1-AMINOETHYL)-1-METHYL- 2-(1-methylimidazol-4-yl)ethanamine AC1Q3Z1K CCG-204842 DTXSID30198207 Imidazole, 4-(2-aminoethyl)-1-methyl- MolPort-006-803-985 N-[3H]methylhistamine [ Show all ]
Inchi Key	FHQDWPCFSJMNCT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
PubChem CID	3614
ChEMBL	CHEMBL507
IUPHAR	1241, 1242
BindingDB	50198912
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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