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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	ASN 04935550
Molecular formula	C22H29N5O
IUPAC name	1-[2H-chromen-3-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidine
Molecular weight	379.508
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.6
Synonyms	AC1LDCWZ Oprea1_205643 1-[(2H-Chromen-3-yl)-(1-cyclohexyl-1H-tetrazol-5-yl)-methyl]-piperidine HMS2483N07 AKOS000742156 Oprea1_611311 CHEMBL1402258 1-[2H-chromen-3-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidine MLS000031162 SMR000003810 HMS1680K19 [ Show all ]
Inchi Key	AFGGQOIKESIMPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H29N5O/c1-3-10-19(11-4-1)27-22(23-24-25-27)21(26-13-7-2-8-14-26)18-15-17-9-5-6-12-20(17)28-16-18/h5-6,9,12,15,19,21H,1-4,7-8,10-11,13-14,16H2
PubChem CID	646100
ChEMBL	CHEMBL1402258
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	1995.3 nM	PubChem BioAssay data set	ChEMBL

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