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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	MLS000087711
Molecular formula	C20H16BrClN2O4
IUPAC name	N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-chlorophenyl]furan-2-carboxamide
Molecular weight	463.712
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.6
Synonyms	AC1MMRTR MCULE-6728145280 Oprea1_634228 N-[4-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-2-chloranyl-phenyl]furan-2-carboxamide SR-01000418543-1 EU-0069964 N-[4-[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-2-chlorophenyl]-2-furancarboxamide AKOS001595198 SMR000023932 CHEMBL1461732 N-[4-[(3-bromo-4-ethoxy-benzoyl)amino]-2-chloro-phenyl]-2-furamide ZINC4035642 HMS2457H05 N-{4-[(3-bromo-4-ethoxybenzoyl)amino]-2-chlorophenyl}-2-furamide BDBM75963 MolPort-007-553-011 SR-01000418543 cid_3243431 N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-chlorophenyl]furan-2-carboxamide [ Show all ]
Inchi Key	ANVKONNLYQQYNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16BrClN2O4/c1-2-27-17-8-5-12(10-14(17)21)19(25)23-13-6-7-16(15(22)11-13)24-20(26)18-4-3-9-28-18/h3-11H,2H2,1H3,(H,23,25)(H,24,26)
PubChem CID	3243431
ChEMBL	CHEMBL1461732
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	3162.3 nM	PubChem BioAssay data set	ChEMBL

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