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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	tcpobop
Molecular formula	C16H8Cl4N2O2
IUPAC name	3,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine
Molecular weight	402.052
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.0
Synonyms	CJ-29650 F3284-1261 Lopac-T-1443 NCGC00016001-01 NCGC00094431-02 Pyridine,2,2'-[1,4-phenylenebis(oxy)]bis[3,5-dichloro- 1,4-Bis(2-(3,5-dichloropyridyloxy))benzene T 1443 2,2'-[benzene-1,4-diylbis(oxy)]bis(3,5-dichloropyridine) ZINC1751810 76150-91-9 BIDD:PXR0116 DSSTox_CID_175 HMS2488C03 LS-131890 NCGC00016001-04 NCGC00256438-01 Spectrum5_002035 1,4-Bis-[2-(3,5-dichloropyridyloxy)]benzene TCPOBOP, >=98% (HPLC), solid 3,3',5,5'-Tetrachloro-1,4-bis(pyridyloxy)benzene AC1Q3KP4 CCG-205248 CHEMBL488803 DTXSID8020175 KB-60701 MLS000532100 NCGC00016001-07 Pyridine, 2,2'-(1,4-phenylenebis(oxy))bis(3,5-dichloro- 1,4-BDPOB SR-01000076146-5 2,2'-(1,4-Phenylenebis(oxy))bis(3,5-dichloropyridine) Tox21_501174 3,5-dichloro-2-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]pyridine B6644 CTK5E2523 FT-0715320 Lopac0_001174 NCGC00016001-02 NCGC00094431-03 SCHEMBL240269 1,4-Bis(3,5-Dichloro-2-pyridinyloxy)benzene TCD 2-[4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenoxy]-3,5-bis(chloranyl)pyridine 99916-31-1 C-44342 DSSTox_GSID_20175 HMS3263L09 MCULE-6622369223 NCGC00016001-05 NCGC00257722-01 SR-01000076146 1,4-bis[(3,5-dichloropyridin-2-yl)oxy]benzene Tox21_200168 3,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine AC1Q3S6R CCRIS 3521 cid_5382 EU-0101174 KS-00001850 MolPort-000-659-900 NCGC00094431-01 PYRIDINE, 2,2'-[1,4-PHENYLENEBIS(OXY)]BIS[3,5-DICHLORO- 1,4-bis((3,5-dichloropyridin-2-yl)oxy)benzene STK018912 2,2'-[1,4-phenylenebis(oxy)]bis(3,5-dichloropyridine) Z56756152 3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE BDBM89873 D02BPI GTPL2756 LP01174 NCGC00016001-03 NCGC00094431-04 SMR000137041 1,4-bis(3,5-dichloropyridin-2-yloxy)benzene 3,3 inverted exclamation marka,5,5 inverted exclamation marka-Tetrachloro-1,4-bis(pyridyloxy)benzene AC1L1K8B CAS-76150-91-9 DSSTox_RID_75417 IN1064 MFCD00057368 NCGC00016001-06 NCGC00261859-01 SR-01000076146-1 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene Tox21_302870 3,5-dichloro-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]pyridine AKOS001026934 [ Show all ]
Inchi Key	BAFKRPOFIYPKBQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
PubChem CID	5382
ChEMBL	CHEMBL488803
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	31622.8 nM	PubChem BioAssay data set	ChEMBL

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