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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	MLS000572570
Molecular formula	C15H15ClN4O
IUPAC name	2-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Molecular weight	302.762
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.6
Synonyms	SMR000194069 AKOS001152689 N''-[(E)-{4-[(2-chlorobenzyl)oxy]phenyl}methylidene]carbonohydrazonic diamide CHEMBL2369168 STK059117 2-[[4-(2-chlorobenzyl)oxybenzylidene]amino]guanidine MolPort-001-600-033 BDBM51808 N''-{4-[(2-chlorobenzyl)oxy]benzylidene}carbonohydrazonic diamide cid_2267153 2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine MolPort-009-668-301 [ Show all ]
Inchi Key	ABHCKRUQSBLDMN-DJKKODMXSA-N
Inchi ID	InChI=1S/C15H15ClN4O/c16-14-4-2-1-3-12(14)10-21-13-7-5-11(6-8-13)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/b19-9+
PubChem CID	9586311
ChEMBL	CHEMBL2369168
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	3162.3 nM	PubChem BioAssay data set	ChEMBL

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