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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	SMR000022571
Molecular formula	C17H18N4O
IUPAC name	2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
Molecular weight	294.358
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.1
Synonyms	EU-0089245 4-hydroxy-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine-5-carbonitrile AKOS001773326 CHEMBL1387663 2-(4-methylpiperidin-1-yl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile HMS2385C07 4-keto-2-(4-methylpiperidino)-6-phenyl-1H-pyrimidine-5-carbonitrile BDBM37708 SR-01000120573 2-(4-methyl-1-piperidinyl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile cid_3239026 MLS000044627 AC1MMHX4 SR-01000120573-1 2-(4-methylpiperidin-1-yl)-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile [ Show all ]
Inchi Key	CVHXUJXFNBZJLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N4O/c1-12-7-9-21(10-8-12)17-19-15(13-5-3-2-4-6-13)14(11-18)16(22)20-17/h2-6,12H,7-10H2,1H3,(H,19,20,22)
PubChem CID	135497667
ChEMBL	CHEMBL1387663
IUPHAR	N/A
BindingDB	37708
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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