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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	SMR000131790
Molecular formula	C23H16N2O4
IUPAC name	(3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one
Molecular weight	384.391
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	AKOS003221962 HMS644F04 CB06365 (3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenyl-2-pyrrolone cid_5346268 SR-01000415359-1 BDBM55412 MLS000521382 SMSF0011405 (3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenyl-pyrrol-2-one AC1NT6FQ HMS2458A11 ZINC5073018 BIM-0004097.P001 MolPort-006-780-803 (3E)-1-(4-hydroxyphenyl)-3-(4-nitrobenzylidene)-5-phenyl-2-pyrrolin-2-one (3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one CHEMBL1491719 SR-01000415359 [ Show all ]
Inchi Key	GQDXXWHROQBAHL-NBVRZTHBSA-N
Inchi ID	InChI=1S/C23H16N2O4/c26-21-12-10-19(11-13-21)24-22(17-4-2-1-3-5-17)15-18(23(24)27)14-16-6-8-20(9-7-16)25(28)29/h1-15,26H/b18-14+
PubChem CID	5346268
ChEMBL	CHEMBL1491719
IUPHAR	N/A
BindingDB	55412
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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