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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	1,3-dimethyl-6-[(3-methylbutyl)amino]pyrimidine-2,4(1H,3H)-dione
Molecular formula	C11H19N3O2
IUPAC name	1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione
Molecular weight	225.292
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.3
Synonyms	AC1LFFIM HMS1370A12 SMR000104172 1,3-dimethyl-6-(3-methylbutylamino)pyrimidine-2,4-dione CCG-106510 MCULE-1621738506 ZINC267677 5770-47-8 ChemDiv2_000364 Oprea1_244948 AKOS000715300 HMS2166H08 ST50240298 1,3-dimethyl-6-[(3-methylbutyl)amino]-1,3-dihydropyrimidine-2,4-dione MLS000108211 6-(isopentylamino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione EU-0071400 Oprea1_265514 1,3-Dimethyl-6-(3-methyl-butylamino)-1H-pyrimidine-2,4-dione BAS 00792899 HMS3323F18 STK177260 CHEMBL1362431 MolPort-001-946-849 [ Show all ]
Inchi Key	AFRSVCWIBCSISD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H19N3O2/c1-8(2)5-6-12-9-7-10(15)14(4)11(16)13(9)3/h7-8,12H,5-6H2,1-4H3
PubChem CID	777240
ChEMBL	CHEMBL1362431
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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