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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	Amperozide
Molecular formula	C23H29F2N3O
IUPAC name	4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide
Molecular weight	401.502
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.1
Synonyms	4-(4,4-Bis(p-fluorophenyl)butyl)-N-ethyl-1-piperazinecarboxamide Amperozida [INN-Spanish] BRD-K52397688-001-01-9 DB08927 LS-177195 UNII-0M2W3TAG39 75558-90-6 Amperozide [INN:BAN] CHEBI:92913 FG-5606 NCGC00015081-03 1-Piperazinecarboxamide, 4-(4,4-bis(p-fluorophenyl)butyl)-N-ethyl- AKOS030548015 API0008640 D0V4JO Lopac-A-6976 PDSP2_000730 C23H29F2N3O DTXSID6048416 NCGC00015081-01 ZINC4214849 AC1L2JOA Amperozidum Hogpax vet. NCGC00162051-01 4-(4,4-Bis(4-fluorphenyl)butyl)-N-ethyl-1-piperazinecarboxamid Amperozida BDBM50311786 Lopac0_000040 SCHEMBL340961 75529-73-6 (hydrochloride) Amperozide [BAN:INN] CCG-204136 FG 5606 NCGC00015081-02 0M2W3TAG39 AC1Q4NM7 Amperozidum [INN-Latin] CHEMBL1079935 L000997 PDSP1_000742 [ Show all ]
Inchi Key	NNAIYOXJNVGUOM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)
PubChem CID	73333
ChEMBL	CHEMBL1079935
IUPHAR	N/A
BindingDB	50311786
DrugBank	DB08927
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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