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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.
Go to the GPCR page and check other ligands which interact with it.
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	SMR000046229
Molecular formula	C14H17BrN2O2
IUPAC name	N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide
Molecular weight	325.206
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.3
Synonyms	cid_665257 N-(5-bromo-1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide MLS-0016686.0001 AKOS022011286 N-(5-bromanyl-1-butyl-2-oxidanylidene-3H-indol-3-yl)ethanamide HMS2274C15 N-(5-bromo-1-butyl-2-oxo-3H-indol-3-yl)acetamide AC1LDDEK BDBM62063 MLS000083794 STK876248 CHEMBL1579263 N-(5-bromo-1-butyl-2-keto-indolin-3-yl)acetamide 1008069-41-7 MCULE-3586567324 REGID_for_CID_665257 AKOS001710499 CCG-121252 MolPort-002-626-825 [ Show all ]
Inchi Key	CXCGQPLUFMSASL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H17BrN2O2/c1-3-4-7-17-12-6-5-10(15)8-11(12)13(14(17)19)16-9(2)18/h5-6,8,13H,3-4,7H2,1-2H3,(H,16,18)
PubChem CID	665257
ChEMBL	CHEMBL1579263
IUPHAR	N/A
BindingDB	62063
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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