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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	SMR000203542
Molecular formula	C17H16ClNO4
IUPAC name	1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
Molecular weight	333.768
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.6
Synonyms	1-[(2-chlorobenzyl)oxy]-2-methoxy-4-[(1Z)-2-nitroprop-1-enyl]benzene MLS000584379 AKOS001597285 ZINC258727 CHEMBL1521989 1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene MolPort-007-551-392 BDBM61613 1-(2-chlorobenzyl)oxy-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene cid_12005127 [ Show all ]
Inchi Key	FYIWPEZHWMFQFF-XFXZXTDPSA-N
Inchi ID	InChI=1S/C17H16ClNO4/c1-12(19(20)21)9-13-7-8-16(17(10-13)22-2)23-11-14-5-3-4-6-15(14)18/h3-10H,11H2,1-2H3/b12-9-
PubChem CID	12005127
ChEMBL	CHEMBL1521989
IUPHAR	N/A
BindingDB	61613
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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