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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	MLS000032393
Molecular formula	C26H26N6O3
IUPAC name	3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
Molecular weight	470.533
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.9
Synonyms	MCULE-3253267137 AKOS000700984 Oprea1_506285 3-[[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one CHEBI:104966 cid_647823 ZINC8617373 3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one ASN 05303840 REGID_for_CID_647823 3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one HMS2309I23 AC1LDGR8 MLS000882443 3-[[[1-(2-furfuryl)tetrazol-5-yl]methyl-o-anisyl-amino]methyl]-6-methyl-carbostyril BDBM42408 CHEMBL1608455 SMR000004412 3-{[(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-(2-methoxy-benzyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one [ Show all ]
Inchi Key	BMDSAZDIDMDPRU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H26N6O3/c1-18-9-10-23-20(12-18)13-21(26(33)27-23)15-31(14-19-6-3-4-8-24(19)34-2)17-25-28-29-30-32(25)16-22-7-5-11-35-22/h3-13H,14-17H2,1-2H3,(H,27,33)
PubChem CID	647823
ChEMBL	CHEMBL1608455
IUPHAR	N/A
BindingDB	42408
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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