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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	MLS000037786
Molecular formula	C19H14N2O3S
IUPAC name	methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate
Molecular weight	350.392
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.7
Synonyms	methyl {[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanyl}acetate ZINC17440313 BDBM44430 cid_658573 MolPort-002-550-300 2-[[3-cyano-4-(2-furanyl)-6-phenyl-2-pyridinyl]thio]acetic acid methyl ester methyl 2-[3-cyano-4-(furan-2-yl)-6-phenyl-pyridin-2-yl]sulfanylethanoate SMR000039557 AC1LCZ0F HMS2381F19 Oprea1_468742 2-[[3-cyano-4-(2-furyl)-6-phenyl-2-pyridyl]thio]acetic acid methyl ester methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate STL326426 AKOS022113688 CHEMBL1583671 MLS002581557 MCULE-6857384774 REGID_for_CID_658573 372153-92-9 [ Show all ]
Inchi Key	ACIZZXXGRGTORB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H14N2O3S/c1-23-18(22)12-25-19-15(11-20)14(17-8-5-9-24-17)10-16(21-19)13-6-3-2-4-7-13/h2-10H,12H2,1H3
PubChem CID	658573
ChEMBL	CHEMBL1583671
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	1258.9 nM	PubChem BioAssay data set	ChEMBL

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