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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	SMR000160814
Molecular formula	C24H18BrN3O4
IUPAC name	N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide
Molecular weight	492.329
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.1
Synonyms	MolPort-019-756-141 N-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide BDBM41071 CHEMBL1968356 N-[(E)-[4-(2-anilino-2-oxo-ethoxy)-3-bromo-phenyl]methyleneamino]benzofuran-2-carboxamide STK192864 MLS000324461 N-[[3-bromanyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide AC1OB2Y4 N-[(E)-[3-bromanyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide N-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-benzofurancarboxamide BDBM88849 cid_1018684 N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide ZINC33334254 2-(4-{(E)-[2-(1-benzofuran-2-ylcarbonyl)hydrazinylidene]methyl}-2-bromophenoxy)-N-phenylacetamide MolPort-002-970-418 N-[[4-(2-anilino-2-keto-ethoxy)-3-bromo-benzylidene]amino]coumarilamide AKOS000333201 N-[(E)-[4-(2-anilino-2-keto-ethoxy)-3-bromo-benzylidene]amino]coumarilamide cid_6871588 N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-benzofurancarboxamide 2-{4-[2-(1-benzofuran-2-ylcarbonyl)carbohydrazonoyl]-2-bromophenoxy}-N-phenylacetamide [ Show all ]
Inchi Key	BIOLJPLPUJUMME-VULFUBBASA-N
Inchi ID	InChI=1S/C24H18BrN3O4/c25-19-12-16(10-11-21(19)31-15-23(29)27-18-7-2-1-3-8-18)14-26-28-24(30)22-13-17-6-4-5-9-20(17)32-22/h1-14H,15H2,(H,27,29)(H,28,30)/b26-14+
PubChem CID	6871588
ChEMBL	CHEMBL1968356
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	10000.0 nM	PubChem BioAssay data set	ChEMBL

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