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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	7-(benzyloxy)-2,3-dihydro-4H-chromen-4-one
Molecular formula	C16H14O3
IUPAC name	7-phenylmethoxy-2,3-dihydrochromen-4-one
Molecular weight	254.285
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.8
Synonyms	31042-20-3 7-phenylmethoxy-2,3-dihydrochromen-4-one cid_4521898 ZINC4656472 7-(Benzyloxy)-2,3-dihydro-4H-1-benzopyran-4-one AC1Q6ESN MCULE-4867351823 7-benzoxychroman-4-one SCHEMBL2326572 7-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-one HMS2394K09 AKOS015899237 MLQFOEOUNIRULR-UHFFFAOYSA-N 7-benzyloxychroman-4-one CHEMBL1348198 SMR000115170 4H-1-Benzopyran-4-one, 2,3-dihydro-7-(phenylmethoxy)- AC1ND3YY I14-12195 7-(benzyloxy)-3,4-dihydro-2H-1-benzopyran-4-one BDBM49388 MLS000594478 [ Show all ]
Inchi Key	MLQFOEOUNIRULR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H14O3/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
PubChem CID	4521898
ChEMBL	CHEMBL1348198
IUPHAR	N/A
BindingDB	49388
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	25.1 nM	PubChem BioAssay data set	ChEMBL

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