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GLASS

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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	MLS000098572
Molecular formula	C18H20N4O3S
IUPAC name	2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Molecular weight	372.443
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.2
Synonyms	867274-48-4 HMS2436B24 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide AKOS002497922 MLS002633432 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide CHEMBL1466287 Z19416040 AB00422538-05 MCULE-3390934104 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide BDBM54966 MolPort-004-113-795 2-[(3-butyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide cid_2609971 ZINC3492728 AC1M9IHU 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide SMR000064948 [ Show all ]
Inchi Key	GXKVQFZVXGSINN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N4O3S/c1-3-4-9-22-17(24)13-7-5-6-8-14(13)19-18(22)26-11-16(23)20-15-10-12(2)25-21-15/h5-8,10H,3-4,9,11H2,1-2H3,(H,20,21,23)
PubChem CID	2609971
ChEMBL	CHEMBL1466287
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	6309.6 nM	PubChem BioAssay data set	ChEMBL

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