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GLASS

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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	Carbamylcholine
Molecular formula	C6H15N2O2+
IUPAC name	2-carbamoyloxyethyl(trimethyl)azanium
Molecular weight	147.198
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	-0.4
Synonyms	Spectrum3_000324 BPBio1_001055 Carbachol [INN:BAN:JAN] Carbastat intraocular CHEMBL965 Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl- KBio2_000514 Lopac0_000243 NCGC00015237-02 2-carbamoyloxyethyl(trimethyl)azanium chloride Prestwick1_000880 AB00053795-08 Spectrum_000094 C 4382 CARBAMYL-CHOLINE CAS-51-83-2 Choline, chloride, carbamate IDI1_000725 KBio3_001147 MCULE-5642570831 (carbachol)(2-Carbamoyloxy-ethyl)-trimethyl-ammonium NCGC00015237-05 SBI-0050231.P004 AC1L1DXK BC224240 ZINC3079342 Carbachol hydrochloride Carbastat CHEMBL14 DivK1c_000725 Karbamoylcholin chlorid Lentine MolPort-005-942-293 2-(carbamoyloxy)-N,N,N-trimethylethanaminium NINDS_000725 54Z8M50D6Q SPBio_002880 Spectrum4_000261 BSPBio_000959 Carbacolo Carboptic Choline chloride carbamate GTPL298 KBio2_003082 LS-185872 (2-Carbamoyloxy-ethyl)-trimethyl-ammonium NCGC00015237-03 2-carbamoyloxyethyl-trimethylazanium Prestwick2_000880 AB00053795_09 AC1Q65QH STL371210 C-1770 CCE CTK1D5875 Isopto Carbachol (TN) KBioGR_000722 Miostat 1uv6 NCGC00162103-01 462-58-8 SCHEMBL2792 BDBM50004656 Carbachol USP27 Carbastat (TN) DTXSID0048397 KBio1_000725 Lopac-C-4382 NCGC00015237-01 2-carbamoyloxyethyl(trimethyl)azanium Prestwick0_000880 AB00053795 Spectrum2_000114 Spectrum5_000934 BSPBio_001927 Carbamoylcholine Carboptic (TN) Choline, carbonate (ester) HMS2089I06 KBio2_005650 LS-187126 (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol) NCGC00015237-04 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM Prestwick3_000880 AB00053795_10 AKOS025247582 UNII-54Z8M50D6Q Carbachol (JAN/USP/INN) carbamylcholinechloride CCG-204338 D0U7BW Karbachol KBioSS_000514 Miostat (TN) 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium NCGC00163219-01 SPBio_000128 [ Show all ]
Inchi Key	VPJXQGSRWJZDOB-UHFFFAOYSA-O
Inchi ID	InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
PubChem CID	2551
ChEMBL	CHEMBL965
IUPHAR	298
BindingDB	50004656
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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