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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	MLS000737077
Molecular formula	C18H12N2O2
IUPAC name	None
Molecular weight	288.306
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.4
Synonyms	BDBM47469 SMR000394031 2-oxidanylidene-N-(2-phenylethenylidene)-4-phenylimino-but-3-enamide cid_238775 ZINC1676023 NSC-43308 SR-01000769620 2-oxo-N-(2-phenylethenylidene)-4-phenylimino-3-butenamide HMS2753H22 AC1L61QN NSC43308 2-keto-4-phenylimino-N-styrylidene-but-3-enamide CHEMBL1502358 SR-01000769620-2 2-oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide [ Show all ]
Inchi Key	DDGJLZWYTNCSEI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H
PubChem CID	238775
ChEMBL	CHEMBL1502358
IUPHAR	N/A
BindingDB	47469
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	5011.9 nM	PubChem BioAssay data set	ChEMBL

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