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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SMR000204386
Molecular formula	C12H13NO5
IUPAC name	ethyl 2-[2-[(Z)-2-nitroethenyl]phenoxy]acetate
Molecular weight	251.238
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.4
Synonyms	ethyl {2-[(Z)-2-nitrovinyl]phenoxy}acetate VU0268560-2 AKOS005593158 MolPort-002-698-587 CHEMBL1361821 SR-01000089866-1 A1340/0060498 ethyl 2-[2-[(Z)-2-nitroethenyl]phenoxy]ethanoate MCULE-8526961317 ZINC4474188 BDBM63203 2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl ester cid_5286552 ethyl {2-[(Z)-2-nitroethenyl]phenoxy}acetate STK673104 AC1NR7WF MLS000586023 SR-01000089866 2-[2-[(Z)-2-nitrovinyl]phenoxy]acetic acid ethyl ester ethyl 2-[2-[(Z)-2-nitroethenyl]phenoxy]acetate [ Show all ]
Inchi Key	AKHFFHDDAUYJKO-FPLPWBNLSA-N
Inchi ID	InChI=1S/C12H13NO5/c1-2-17-12(14)9-18-11-6-4-3-5-10(11)7-8-13(15)16/h3-8H,2,9H2,1H3/b8-7-
PubChem CID	5286552
ChEMBL	CHEMBL1361821
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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