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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	Phenyl-acetic acid [2-(4-chloro-benzyloxy)-benzylidene]-hydrazide
Molecular formula	C22H19ClN2O2
IUPAC name	N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
Molecular weight	378.856
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.9
Synonyms	AKOS000605922 CHEMBL3212989 MolPort-019-768-200 BAS 00298511 SMR000174344 MLS000551192 N'-[(E)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene]-2-phenylacetohydrazide STL432834 MolPort-001-922-577 [ Show all ]
Inchi Key	AGLHXCFVCCSSKQ-BUVRLJJBSA-N
Inchi ID	InChI=1S/C22H19ClN2O2/c23-20-12-10-18(11-13-20)16-27-21-9-5-4-8-19(21)15-24-25-22(26)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,25,26)/b24-15+
PubChem CID	9590767
ChEMBL	CHEMBL3212989
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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