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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	SMR000123112
Molecular formula	C21H23FN2O5S
IUPAC name	N-(1,3-benzodioxol-5-yl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
Molecular weight	434.482
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.7
Synonyms	MCULE-3844583604 BAS 03774697 MolPort-001-993-739 CHEMBL1544955 AB00122673-01 MLS000035497 Cambridge id 6877568 N-Benzo[1,3]dioxol-5-yl-2-[cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetamide HMS2409F17 ZINC921571 AKOS000438676 MLS002535273 Oprea1_667292 [ Show all ]
Inchi Key	AAPVACTYYPFYGN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23FN2O5S/c22-15-6-9-18(10-7-15)30(26,27)24(17-4-2-1-3-5-17)13-21(25)23-16-8-11-19-20(12-16)29-14-28-19/h6-12,17H,1-5,13-14H2,(H,23,25)
PubChem CID	1167454
ChEMBL	CHEMBL1544955
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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