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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	MLS000833566
Molecular formula	C19H19F3N4O3
IUPAC name	4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carboxamide
Molecular weight	408.381
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.8
Synonyms	CHEMBL1380541 MCULE-9353053829 BDBM72746 SMR000457087 cid_2795892 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carboxamide ZINC4299423 HMS2810K15 AC1MDUF4 MolPort-002-888-778 [ Show all ]
Inchi Key	AFWZIJWCDZWCIS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19F3N4O3/c20-19(21,22)14-7-8-16(17(13-14)26(28)29)24-9-4-10-25(12-11-24)18(27)23-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12H2,(H,23,27)
PubChem CID	2795892
ChEMBL	CHEMBL1380541
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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