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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	SMR000006848
Molecular formula	C18H20N4O
IUPAC name	N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
Molecular weight	308.385
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.3
Synonyms	N-[2-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]ethyl]cyclopropanecarboxamide Cyclopropanecarboxylic acid [2-(3-cyano-7,8-dimethyl-quinolin-2-ylamino)-ethyl]-amide SR-01000329169 N-[2-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]ethyl]cyclopropanecarboxamide ASN 06539975 N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide CHEMBL1328534 HMS2400G19 SR-01000329169-1 AC1LDI3K N-[2-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]ethyl]cyclopropanecarboxamide BDBM74551 cid_648434 MLS000033154 ZINC20151399 AKOS000680518 [ Show all ]
Inchi Key	ADYKIWQYRJDHRU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N4O/c1-11-3-4-14-9-15(10-19)17(22-16(14)12(11)2)20-7-8-21-18(23)13-5-6-13/h3-4,9,13H,5-8H2,1-2H3,(H,20,22)(H,21,23)
PubChem CID	648434
ChEMBL	CHEMBL1328534
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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