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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	BAS 07100584
Molecular formula	C17H18N4O
IUPAC name	(4,6-dimethylpyrimidin-2-yl)-[2-(4-ethylphenyl)-2-oxoethyl]cyanamide
Molecular weight	294.358
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	(4,6-Dimethyl-pyrimidin-2-yl)-[2-(4-ethyl-phenyl)-2-oxo-ethyl]-cyanamide SR-01000324412 674339-36-7 MCULE-3424277676 STK232050 amino(4,6-dimethylpyrimidin-2-yl)[2-(4-ethylphenyl)-2-oxoethyl]carbonitrile N-(4,6-dimethyl-2-pyrimidinyl)-N-[2-(4-ethylphenyl)-2-oxoethyl]cyanamide (4,6-dimethylpyrimidin-2-yl)-[2-(4-ethylphenyl)-2-oxoethyl]cyanamide CHEMBL1530189 SR-01000324412-1 AC1LJ1M4 MLS000529402 ZINC539506 SMR000121877 (4,6-dimethylpyrimidin-2-yl)[2-(4-ethylphenyl)-2-oxoethyl]cyanamide HMS2334G09 ST50732527 AKOS000628982 MolPort-000-755-160 [ Show all ]
Inchi Key	AFZDDVZZISKIDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N4O/c1-4-14-5-7-15(8-6-14)16(22)10-21(11-18)17-19-12(2)9-13(3)20-17/h5-9H,4,10H2,1-3H3
PubChem CID	942367
ChEMBL	CHEMBL1530189
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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