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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	SMR000104366
Molecular formula	C18H22N2O5S
IUPAC name	N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
Molecular weight	378.443
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.3
Synonyms	CB02068 N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide CHEMBL1523097 SMSF0010892 AKOS022158862 MLS000108408 ZINC1203666 CBMicro_012944 Oprea1_614386 HMS2169J07 SR-01000225008 BIM-0013102.P001 MolPort-002-085-413 AC1LR219 HMS3324O21 SR-01000225008-1 [ Show all ]
Inchi Key	ADSMQVJAZHSKTR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)20(26(4,22)23)12-18(21)19-16-10-9-15(24-2)11-17(16)25-3/h5-11H,12H2,1-4H3,(H,19,21)
PubChem CID	1361027
ChEMBL	CHEMBL1523097
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	2511.9 nM	PubChem BioAssay data set	ChEMBL

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