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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	SMR000078951
Molecular formula	C21H22N2O3
IUPAC name	2-[3-(furan-2-carbonyl)indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
Molecular weight	350.418
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.6
Synonyms	2-[3-(2-furoyl)indol-1-yl]-1-(2-methylpiperidino)ethanone AKOS000465637 HMS2165J19 MLS000065297 2-[3-(furan-2-ylcarbonyl)-1H-indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone BDBM31348 CHEMBL1581164 2-[3-(Furan-2-carbonyl)-indol-1-yl]-1-(2-methyl-piperidin-1-yl)-ethanone AKOS022012129 HMS3309J04 MLS002547371 2-[3-(furan-2-ylcarbonyl)indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone CCG-119605 STL505484 2-furyl{1-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-1H-indol-3-yl}methanone AC1MGP7Y cid_2964527 2-[3-(furan-2-carbonyl)indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone BAS 08196794 MCULE-8647374477 MolPort-002-012-404 2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-1-(2-methyl-1-piperidinyl)ethanone [ Show all ]
Inchi Key	DDFKIBRAGFANTI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22N2O3/c1-15-7-4-5-11-23(15)20(24)14-22-13-17(16-8-2-3-9-18(16)22)21(25)19-10-6-12-26-19/h2-3,6,8-10,12-13,15H,4-5,7,11,14H2,1H3
PubChem CID	2964527
ChEMBL	CHEMBL1581164
IUPHAR	N/A
BindingDB	31348
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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