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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	MLS000594990
Molecular formula	C16H16N4O2
IUPAC name	4,6-dimethyl-5-nitro-2-(2-phenylethylamino)pyridine-3-carbonitrile
Molecular weight	296.33
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	CHEMBL1300608 ZINC20792182 4,6-Dimethyl-5-nitro-2-phenethylamino-nicotinonitrile AKOS022125204 SMR000218142 304877-12-1 HMS2551A19 4,6-dimethyl-5-nitro-2-[(2-phenylethyl)amino]pyridine-3-carbonitrile MolPort-002-539-804 STL322212 4,6-dimethyl-5-nitro-2-(phenethylamino)pyridine-3-carbonitrile MCULE-1192812334 AC1MUQRM Oprea1_507784 [ Show all ]
Inchi Key	AFIUPYKIMYCNLF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16N4O2/c1-11-14(10-17)16(19-12(2)15(11)20(21)22)18-9-8-13-6-4-3-5-7-13/h3-7H,8-9H2,1-2H3,(H,18,19)
PubChem CID	3622650
ChEMBL	CHEMBL1300608
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	33807.8 nM	PubChem BioAssay data set	ChEMBL

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