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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	Neuropeptide S receptor
Species	Homo sapiens (Human)
Gene	NPSR1
Synonym	G-protein coupled receptor for asthma susceptibility vasopressin receptor-related receptor 1 G protein-coupled receptor 154 PGR14 NPS receptor G-protein coupled receptor 154 GPR154 G-protein coupled receptor PGR14 VRR1 [ Show all ]
Disease	Neurological disease
Length	371
Amino acid sequence	MPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProt	Q6W5P4
Protein Data Bank	N/A
GPCR-HGmod model	Q6W5P4
3D structure model	This predicted structure model is from GPCR-EXP Q6W5P4.
BioLiP	N/A
Therapeutic Target Database	T20958
ChEMBL	CHEMBL5162
IUPHAR	302
DrugBank	BE0000948

Ligand

Name	C22H31BrN2O5S
Molecular formula	C22H31BrN2O5S
IUPAC name	4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-ethoxycarbonyloctanoic acid;hydrobromide
Molecular weight	515.463
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	None
Synonyms	326472-88-2 MolPort-009-766-061 AKOS030506773 CHEMBL1611545 2-Butyl-2-[2-(4-ethoxy-phenylamino)-thiazol-4-yl]-pentanedioic acid 1-ethyl ester SMR000414149 MLS000777701 [ Show all ]
Inchi Key	AARJBBBRMXBWSZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H30N2O5S.BrH/c1-4-7-13-22(14-12-19(25)26,20(27)29-6-3)18-15-30-21(24-18)23-16-8-10-17(11-9-16)28-5-2;/h8-11,15H,4-7,12-14H2,1-3H3,(H,23,24)(H,25,26);1H
PubChem CID	16682163
ChEMBL	CHEMBL1611545
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	25118.9 nM	PubChem BioAssay data set	ChEMBL

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