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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	4E1RCat
Molecular formula	C28H18N2O6
IUPAC name	4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
Molecular weight	478.46
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.3
Synonyms	4-[(3E)-3-[[5-(4-Nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid AS-16625 HMS644P11 SMR000312561 (E)-4-(3-((5-(4-Nitrophenyl)furan-2-yl)methylene)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl)benzoic acid C28H18N2O6 ML107 STK193082 4-((3E)-3-{[5-(4-nitrophenyl)-2-furyl]methylene}-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl)benzoic acid 4-[(3E)-3-[[5-(4-nitrophenyl)-2-furyl]methylene]-2-oxo-5-phenyl-pyrrol-1-yl]benzoic acid AKOS000324533 cid_16195554 NCGC00370928-02 4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid BDBM48878 JM2_96A SR-01000415305 2170AH MLS000685597 ZINC9311298 4-[(3E)-2-keto-3-[[5-(4-nitrophenyl)-2-furyl]methylene]-5-phenyl-2-pyrrolin-1-yl]benzoic acid 4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]benzoic acid AOB1198 HMS2595I13 s7370 4-[(3E)-3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid Benzoic acid,4-[2,3-dihydro-3-[[5-(4-nitrophenyl)-2-furanyl]methylene]-2-oxo-5-phenyl-1H-pyrrol-1-yl]- KB-75363 SR-01000415305-1 328998-25-0 4E1RCat, >=97% (HPLC) CHEMBL1610008 MolPort-002-970-554 4-[(3E)-3-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-2-oxo-5-phenyl-1-pyrrolyl]benzoic acid [ Show all ]
Inchi Key	BBQRBOIMSKMFFO-LTGZKZEYSA-N
Inchi ID	InChI=1S/C28H18N2O6/c31-27-21(16-24-14-15-26(36-24)19-6-12-23(13-7-19)30(34)35)17-25(18-4-2-1-3-5-18)29(27)22-10-8-20(9-11-22)28(32)33/h1-17H,(H,32,33)/b21-16+
PubChem CID	16195554
ChEMBL	CHEMBL1610008
IUPHAR	N/A
BindingDB	48878
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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