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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	SMR000024980
Molecular formula	C15H10F7NO
IUPAC name	[3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-en-2-yl]-(3-fluorophenyl)methanone
Molecular weight	353.24
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.2
Synonyms	3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-en-2-yl 3-fluorophenyl keto ne HMS2159I22 SR-01000531588 AC1LBALR Methanone, (3-fluorophenyl)[3,3-di(trifluoromethyl)-2-azabicyclo[2,2,1]hept-5-en-2-yl)- STK676964 2-(3-Fluorobenzoyl)-3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene CHEMBL1504734 MolPort-002-709-175 A2401/0101711 HMS3308G22 SR-01000531588-1 AKOS005594466 MLS000090370 [2,2-bis(trifluoromethyl)-3-azabicyclo[2.2.1]hept-5-en-3-yl]-(3-fluorophenyl)methanone 2-(3-Fluorobenzoyl)-3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene # CTK7C1593 AAUCBLGUBWYLGP-UHFFFAOYSA-N MCULE-8443695653 ST092261 MLS002589568 [3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-en-2-yl](3-fluorophenyl)methanone [ Show all ]
Inchi Key	AAUCBLGUBWYLGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10F7NO/c16-10-3-1-2-8(6-10)12(24)23-11-5-4-9(7-11)13(23,14(17,18)19)15(20,21)22/h1-6,9,11H,7H2
PubChem CID	579369
ChEMBL	CHEMBL1504734
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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