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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	SMR000019512
Molecular formula	C15H8ClNO3S2
IUPAC name	3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
Molecular weight	349.803
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.9
Synonyms	3-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-benzothiophene 1,1-dioxide CHEMBL1531073 Oprea1_403297 5-chloro-2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzoxazole EU-0080418 3-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide BDBM37054 IDI1_003088 3-[(5-chloro-1,3-benzoxazol-2-yl)thio]benzothiophene 1,1-dioxide ChemDiv2_004373 AC1MG1I5 HMS1381G17 3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide MLS000043085 cid_2928973 AKOS001670775 HMS2386I22 [ Show all ]
Inchi Key	AFYRYLBMABOAHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H8ClNO3S2/c16-9-5-6-12-11(7-9)17-15(20-12)21-13-8-22(18,19)14-4-2-1-3-10(13)14/h1-8H
PubChem CID	2928973
ChEMBL	CHEMBL1531073
IUPHAR	N/A
BindingDB	37054
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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