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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	AC1OSEP3
Molecular formula	C20H19N5OS
IUPAC name	(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Molecular weight	377.466
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.4
Synonyms	6-[1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-meth-(E)-ylidene]-5-imino-2-methyl-5,6-dihydro-[1,3,4]thiadi azolo[3,2-a]pyrimidin-7-one SMR000437745 AKOS032394081 MLS000333569 877804-92-7 ZINC5576309 (6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one MolPort-002-635-730 CHEMBL1520050 [ Show all ]
Inchi Key	AHNHRJXODLAYIN-RPKGUNMRSA-N
Inchi ID	InChI=1S/C20H19N5OS/c1-12-9-16(13(2)24(12)11-15-7-5-4-6-8-15)10-17-18(21)25-20(22-19(17)26)27-14(3)23-25/h4-10,21H,11H2,1-3H3/b17-10+,21-18?
PubChem CID	7741138
ChEMBL	CHEMBL1520050
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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