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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	Carbetapentane citrate
Molecular formula	C26H39NO10
IUPAC name	2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular weight	525.595
Hydrogen bond acceptor	11
Hydrogen bond donor	4
XlogP	None
Synonyms	DTXSID10177717 HMS2096M15 I14-11705 MLS000859895 1-Phenylcyclopentane-1-carboxylic Acid Diethylaminoethoxyethyl Ester Citrate NCGC00017090-01 2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentanecarboxylate citrate Pentoxyverine citrate A839013 SR-01000075435-1 Astomatop (TN) Toclase citrate W-107426 Carbetapentone citrate CS-4577 EU-0100313 HMS3266A18 Lopac-C-4662 NCGC00016128-01 2-(2(Diethylamino)ethoxy)ethyl 1-phenyl-cyclopentanecarboxylate citrate (1:1) NCGC00093760-03 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester Pharmakon1600-01501129 AC1Q68D8 SR-01000075435-5 BCP13538 C-23076 CCG-39029 D01260 HMS1921H13 HMS501B18 LS-57907 077P236 NCGC00016128-04 2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate dihydrogen citrate NSC757833 4SH0MFJ5HJ SPECTRUM1501129 AN-7038 ST24048885 Tox21_500313 Carbetapentane citrate salt CHEMBL1256696 EINECS 245-449-5 HMS2233B06 KB-279711 MLS002207180 1-Phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethoxy)ethyl ester citrate NCGC00093760-01 2-(2-diethylaminoethyloxy)ethyl 1-phenylcyclopentane-1-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid Pentoxyverine citrate (JP17) AC-19682 SR-01000075435-11 Atussil Citrate Caretapentane Citrate CTK8F8456 FT-0630493 HMS3370A07 Loucarbate NCGC00016128-02 2-(2-(diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate 2-hydroxypropane-1,2,3-tricarboxylate NCGC00260998-01 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Prestwick_748 AK115683 SR-01000075435-7 BN0126 Carbetapentane (citrate) CHEBI:31352 Diethyl(2-(2-((1-phenylcyclopentyl)formyloxy)ethoxy)ethyl)ammoniumdihydrogen 2-hydroxypropane-1,2,3-tricarboxylate HMS2092F03 HY-B1055 MFCD00055697 1-Phenyl-cyclopentanecarboxylic acid 2-[2-(Diethylamino)ethoxy]ethyl ester citrate NCGC00016128-05 2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentane carboxylate citrate Pentoxiverine citrate 5585-88-6 SR-01000075435 AS-35372 Toclase UNII-4SH0MFJ5HJ Carbetapentane citrate [NF] citric acid; 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate Ethanol, 2-(2-(diethylamino)ethoxy)-, 1-phenylcyclopentanecarboxylate (ester) citrate HMS3260P08 KS-00000XMF MolPort-003-666-361 1-Phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethoxy)ethyl ester citrate salt NCGC00093760-02 2-(Diethylaminoethoxy)ethyl 1-Phenyl-1-cyclopentanecarboxylate Citrate Pentoxyverine citrate,(S) AC1L3J2X SR-01000075435-3 AX8119983 CAS-23142-01-0 Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, citrate (1:1) HMS1569M15 HMS3713M15 LP00313 NCGC00016128-03 2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate citrate (1:1) NSC-757833 23142-01-0 SCHEMBL160096 AKOS015899622 SR-01000075435-8 C 4662 [ Show all ]
Inchi Key	AKJDEXBCRLOVTH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
PubChem CID	90010
ChEMBL	CHEMBL1256696
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	316.2 nM	PubChem BioAssay data set	ChEMBL

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