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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	AC1OBTDF
Molecular formula	C19H15BrN4O3
IUPAC name	5-bromo-N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-1-benzofuran-2-carboxamide
Molecular weight	427.258
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	CHEMBL3192586 5-bromo-N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-1-benzofuran-2-carboxamide SMR000436137 AKOS003207594 5-Bromo-benzofuran-2-carboxylic acid [1-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-meth-(E)-ylidene]-hydrazide MLS000332847 577984-49-7 STL302233 5-bromo-N'-[(E)-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-1-benzofuran-2-carbohydrazide MolPort-002-602-020 ZINC33304971 [ Show all ]
Inchi Key	AKVYGNSBGGRHHG-UFFVCSGVSA-N
Inchi ID	InChI=1S/C19H15BrN4O3/c1-23-14-5-3-11(7-15(14)24(2)19(23)26)10-21-22-18(25)17-9-12-8-13(20)4-6-16(12)27-17/h3-10H,1-2H3,(H,22,25)/b21-10+
PubChem CID	6886091
ChEMBL	CHEMBL3192586
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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