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GLASS

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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	MLS000732847
Molecular formula	C23H25N3O2
IUPAC name	3-ethyl-4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
Molecular weight	375.472
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	3-ethyl-4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one CHEMBL1603032 4-[(2-biphenyl-4-yl-5-methyl-1,3-oxazol-4-yl)methyl]-3-ethylpiperazin-2-one MCULE-4739893114 BDBM46409 3-ethyl-4-[[5-methyl-2-(4-phenylphenyl)-4-oxazolyl]methyl]-2-piperazinone cid_16190638 4-{[2-(4-biphenylyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-ethyl-2-piperazinone 3-ethyl-4-[[5-methyl-2-(4-phenylphenyl)oxazol-4-yl]methyl]piperazin-2-one HMS2755M13 SMR000316479 [ Show all ]
Inchi Key	FUSSCZQVVQIIPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25N3O2/c1-3-21-22(27)24-13-14-26(21)15-20-16(2)28-23(25-20)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,21H,3,13-15H2,1-2H3,(H,24,27)
PubChem CID	16190638
ChEMBL	CHEMBL1603032
IUPHAR	N/A
BindingDB	46409
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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