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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	MLS000556811
Molecular formula	C25H34N2O3
IUPAC name	5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
Molecular weight	410.558
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.8
Synonyms	AC1LRXHG SMR000173544 5-tert-Butyl-3-methyl-furan-2-carboxylic acid cyclopentylcarbamoylmethyl-(2,6-dimethyl-phenyl)-amide 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)-3-methyl-2-furancarboxamide HMS2471H16 ASN 06744255 5-tert-butyl-N-[2-(cyclopentylamino)-2-keto-ethyl]-N-(2,6-dimethylphenyl)-3-methyl-2-furamide CHEMBL1458360 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)-3-methylfuran-2-carboxamide BDBM46897 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-(2,6-dimethylphenyl)-3-methyl-furan-2-carboxamide cid_1454983 [ Show all ]
Inchi Key	ADFOFBMTHOLHHF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H34N2O3/c1-16-10-9-11-17(2)22(16)27(15-21(28)26-19-12-7-8-13-19)24(29)23-18(3)14-20(30-23)25(4,5)6/h9-11,14,19H,7-8,12-13,15H2,1-6H3,(H,26,28)
PubChem CID	1454983
ChEMBL	CHEMBL1458360
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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