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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	brefeldin A
Molecular formula	C16H24O4
IUPAC name	(3E,11E)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
Molecular weight	280.364
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.0
Synonyms	4H-Cyclopent[f]oxacyclotridecin-4-one, 1,6,7,8,9,11a.beta.,12,13,14,14a.alpha.-decahydro-1.beta.,13.alpha.-dihydroxy-6.beta.-methyl- CHEMBL1987060 MolPort-002-227-778 (2E,10E)-7-methyl-12,15-bis(oxidanyl)-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one BCP22305 Cyanein SCHEMBL4967933 4H-Cyclopent[f]oxacyclotridecin-4-one, 1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-, [1R-(1R,2E,6S,10E,11aS,13S,14aR)]- CCG-22194 MLS000534571 STK177306 (2E,10E)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one AC1NSGNA cid_5362868 NSC 56310 1,13-Dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one BDBM114316 Decumbin SMR000142008 4H-Cyclopent[f]oxacyclotridecin-4-one, 1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-, [1S-(1R,2E,6R,10E,11aR,13R,14aS)]- MLS006011747 (2E,10E)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one AKOS005410728 Cyanaein REGID_for_CID_5362868 20350-15-6 KQNZDYYTLMIZCT-GFGVWQOPSA-N SMR004703469 [ Show all ]
Inchi Key	KQNZDYYTLMIZCT-GFGVWQOPSA-N
Inchi ID	InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+
PubChem CID	5362868
ChEMBL	CHEMBL1987060
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	501.2 nM	PubChem BioAssay data set	ChEMBL

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