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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	MLS000572338
Molecular formula	C17H11F6NO
IUPAC name	(E)-N,3-bis[3-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight	359.271
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.4
Synonyms	(2E)-N,3-bis[3-(trifluoromethyl)phenyl]prop-2-enamide BRD-K42830622-001-09-4 N,3-bis[3-(trifluoromethyl)phenyl]acrylamide (E)-N,3-bis[3-(trifluoromethyl)phenyl]prop-2-enamide CHEMBL1418598 ST50078690 BDBM57460 (E)-N,3-bis[3-(trifluoromethyl)phenyl]-2-propenamide CB07680 SMR000194299 AC1LQLA9 cid_1352451 STK949790 (2E)-3-[3-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide BIM-0005507.P001 MolPort-000-304-734 (E)-N,3-bis[3-(trifluoromethyl)phenyl]acrylamide SMSF0014921 AKOS002187713 HMS2471J03 ZINC1191257 [ Show all ]
Inchi Key	HKWNCYKBLBCUHP-BQYQJAHWSA-N
Inchi ID	InChI=1S/C17H11F6NO/c18-16(19,20)12-4-1-3-11(9-12)7-8-15(25)24-14-6-2-5-13(10-14)17(21,22)23/h1-10H,(H,24,25)/b8-7+
PubChem CID	1352451
ChEMBL	CHEMBL1418598
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	33807.8 nM	PubChem BioAssay data set	ChEMBL

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