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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.
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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	MLS000700440
Molecular formula	C15H10Cl2N4O2
IUPAC name	4,5-dichloro-2-[6-(2-methylphenoxy)pyrimidin-4-yl]pyridazin-3-one
Molecular weight	349.171
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.5
Synonyms	CHEMBL1384167 4,5-dichloro-2-[6-(2-methylphenoxy)-4-pyrimidinyl]-3-pyridazinone BDBM68076 cid_850484 4,5-bis(chloranyl)-2-[6-(2-methylphenoxy)pyrimidin-4-yl]pyridazin-3-one SMR000229917 4,5-dichloro-2-[6-(2-methylphenoxy)pyrimidin-4-yl]pyridazin-3-one HMS2534G23 4,5-dichloro-2-[6-(2-methylphenoxy)-4-pyrimidinyl]-3(2H)-pyridazinone AC1LGR4E [ Show all ]
Inchi Key	COKVDHDTHNXNNV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10Cl2N4O2/c1-9-4-2-3-5-11(9)23-13-6-12(18-8-19-13)21-15(22)14(17)10(16)7-20-21/h2-8H,1H3
PubChem CID	850484
ChEMBL	CHEMBL1384167
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	11995.5 nM	PubChem BioAssay data set	ChEMBL

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