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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	AC1MGWUV
Molecular formula	C22H21NOS
IUPAC name	2-benzylsulfanyl-N-(2-phenylphenyl)propanamide
Molecular weight	347.476
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.6
Synonyms	2-(benzylsulfanyl)-N-[1,1'-biphenyl]-2-ylpropanamide CHEMBL1505456 MLS000578915 AKOS025270427 STL221913 2-(benzylthio)-N-2-biphenylylpropanamide HMS2577M04 AH-487/41803145 MolPort-002-255-720 2-(benzylsulfanyl)-N-(biphenyl-2-yl)propanamide 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide MCULE-3388157606 AKOS000387876 SMR000198735 [ Show all ]
Inchi Key	ACAYCMLVJGOTJK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21NOS/c1-17(25-16-18-10-4-2-5-11-18)22(24)23-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,23,24)
PubChem CID	2942740
ChEMBL	CHEMBL1505456
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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