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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	2-[cyclohexyl(methyl)amino]-5-nitro-N-phenylbenzamide
Molecular formula	C20H23N3O3
IUPAC name	2-[cyclohexyl(methyl)amino]-5-nitro-N-phenylbenzamide
Molecular weight	353.422
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.5
Synonyms	CHEMBL1604140 MLS000582145 ZINC5065284 AC1MGGKW HMS2442P19 MolPort-002-275-065 MCULE-8698789218 SMR000200353 [ Show all ]
Inchi Key	ABTBRIDDKJDMQY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H23N3O3/c1-22(16-10-6-3-7-11-16)19-13-12-17(23(25)26)14-18(19)20(24)21-15-8-4-2-5-9-15/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H,21,24)
PubChem CID	2960709
ChEMBL	CHEMBL1604140
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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