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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	BAS 00662566
Molecular formula	C8H12N4O3S
IUPAC name	propan-2-yl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate
Molecular weight	244.269
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	0.2
Synonyms	MLS000714713 SR-01000405510 (5-Oxo-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylamino)-acetic acid isoprop HMS1608P17 Oprea1_045329 STK857462 AKOS000519904 MCULE-9935850070 propan-2-yl N-(5-hydroxy-3-sulfanyl-1,2,4-triazin-6-yl)glycinate MolPort-000-654-261 SR-01000405510-1 303794-19-6 HMS2691M23 propan-2-yl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]acetate ZINC13570903 AKOS005632191 methylethyl 2-[(5-oxo-3-thioxo-2H,4H-1,2,4-triazin-6-yl)amino]acetate SMR000274692 CHEMBL1349621 MolPort-005-971-350 ST070742 AC1LE8SB ISOPROPYL ((5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)AMINO)ACETATE propan-2-yl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate [ Show all ]
Inchi Key	AALJFFRFEBGHPM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H12N4O3S/c1-4(2)15-5(13)3-9-6-7(14)10-8(16)12-11-6/h4H,3H2,1-2H3,(H,9,11)(H2,10,12,14,16)
PubChem CID	682221
ChEMBL	CHEMBL1349621
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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