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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	AC1NSJL8
Molecular formula	C17H19NO2
IUPAC name	N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide
Molecular weight	269.344
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.0
Synonyms	(Z)-N-(1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)benzamide MLS000109249 AKOS030487851 N-[(1Z)-1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene)ethyl]benzamide CHEMBL1606991 1164456-68-1 MolPort-002-508-541 BIM-0034558.P001 SMR000105194 HMS2302J24 N-[(1Z)-1-(6,6-dimethyl-3-oxo-4-bicyclo[3.1.0]hexanylidene)ethyl]benzamide STL525288 [ Show all ]
Inchi Key	AEGPEQPADQUZBA-GXDHUFHOSA-N
Inchi ID	InChI=1S/C17H19NO2/c1-10(18-16(20)11-7-5-4-6-8-11)14-13(19)9-12-15(14)17(12,2)3/h4-8,12,15H,9H2,1-3H3,(H,18,20)/b14-10+
PubChem CID	5310864
ChEMBL	CHEMBL1606991
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	3981.1 nM	PubChem BioAssay data set	ChEMBL

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