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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	SMR000172878
Molecular formula	C30H31N3O3S
IUPAC name	2-(4-acetyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-thiophen-2-ylacetamide
Molecular weight	513.656
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.3
Synonyms	ASN 04883021 HMS2404H09 2-[(4-Acetyl-phenyl)-(2-1H-indol-3-yl-acetyl)-amino]-N-cyclohexyl-2-thiophen-2-yl-acetamide MLS000555659 AC1ML8IG CHEMBL1537944 2-(4-acetyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-thiophen-2-ylacetamide [ Show all ]
Inchi Key	ADPPBIMJWRJFOW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H31N3O3S/c1-20(34)21-13-15-24(16-14-21)33(28(35)18-22-19-31-26-11-6-5-10-25(22)26)29(27-12-7-17-37-27)30(36)32-23-8-3-2-4-9-23/h5-7,10-17,19,23,29,31H,2-4,8-9,18H2,1H3,(H,32,36)
PubChem CID	3190913
ChEMBL	CHEMBL1537944
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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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