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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	SMR000153558
Molecular formula	C24H22N4O3S2
IUPAC name	N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
Molecular weight	478.585
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BDBM77305 MolPort-004-070-011 cid_5156301 N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide AC1NPD01 MLS000566646 N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-propionamide HMS2185N21 N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide AKOS002438136 MLS003913128 Z14345629 CHEMBL1351556 N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide 851185-31-4 MCULE-5314941977 REGID_for_CID_5156301 [ Show all ]
Inchi Key	AIHAAYAIQLHTTF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22N4O3S2/c1-16(23(29)25-13-18-9-10-19-20(12-18)31-15-30-19)33-24-27-26-22(21-8-5-11-32-21)28(24)14-17-6-3-2-4-7-17/h2-12,16H,13-15H2,1H3,(H,25,29)
PubChem CID	5156301
ChEMBL	CHEMBL1351556
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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