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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SMR000353138
Molecular formula	C21H17Br2N3O7S
IUPAC name	2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3,5-dinitrobenzoate;bromide
Molecular weight	615.249
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	None
Synonyms	MLS001011135 AKOS001015693 HMS2598D16 3-[2-(4-bromophenyl)-2-oxoethyl]-5-[2-(3,5-dinitrobenzoyloxy)ethyl]-4-methyl-1,3-thiazol-3-ium bromide MLS003911216 Z56770353 MCULE-3904057962 365543-57-3 MolPort-009-216-984 CHEMBL1391393 [ Show all ]
Inchi Key	AHJMSRIGKBIGHN-UHFFFAOYSA-M
Inchi ID	InChI=1S/C21H17BrN3O7S.BrH/c1-13-20(33-12-23(13)11-19(26)14-2-4-16(22)5-3-14)6-7-32-21(27)15-8-17(24(28)29)10-18(9-15)25(30)31;/h2-5,8-10,12H,6-7,11H2,1H3;1H/q+1;/p-1
PubChem CID	16196220
ChEMBL	CHEMBL1391393
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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