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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	MLS000113955
Molecular formula	C11H8BrNO4S
IUPAC name	methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate
Molecular weight	330.152
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.6
Synonyms	AC1M2CFW methyl 3-[(5-bromanylfuran-2-yl)carbonylamino]thiophene-2-carboxylate SR-01000258303-1 methyl 3-{[(5-bromofuran-2-yl)carbonyl]amino}thiophene-2-carboxylate ZINC2757009 3-[(5-bromo-2-furoyl)amino]thiophene-2-carboxylic acid methyl ester HMS2177F23 SMR000109845 AKOS001437267 methyl 3-[(5-bromo-2-furyl)carbonylamino]thiophene-2-carboxylate ST50929293 CHEMBL1520065 3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester MCULE-3229077267 SR-01000258303 BDBM42859 methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate STK433668 cid_2167035 MolPort-001-543-727 [ Show all ]
Inchi Key	AAVMFXCTHZZIFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H8BrNO4S/c1-16-11(15)9-6(4-5-18-9)13-10(14)7-2-3-8(12)17-7/h2-5H,1H3,(H,13,14)
PubChem CID	2167035
ChEMBL	CHEMBL1520065
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	3981.1 nM	PubChem BioAssay data set	ChEMBL

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