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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	ethyl 2-(acetylamino)-4,5-dinitrobenzoate
Molecular formula	C11H11N3O7
IUPAC name	ethyl 2-acetamido-4,5-dinitrobenzoate
Molecular weight	297.223
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.5
Synonyms	AC1N30FU HMS2529P09 CHEMBL1447697 MolPort-002-799-575 ethyl 2-acetamido-4,5-dinitro-benzoate BDBM42069 MCULE-9943202771 2-acetamido-4,5-dinitro-benzoic acid ethyl ester cid_4104905 SMR000224624 AC-907/34129017 ethyl 2-acetamido-4,5-dinitrobenzoate MLS000698400 2-acetamido-4,5-dinitrobenzoic acid ethyl ester ZINC4114420 [ Show all ]
Inchi Key	KYIOKAUDHIQKBS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
PubChem CID	4104905
ChEMBL	CHEMBL1447697
IUPHAR	N/A
BindingDB	42069
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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