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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	AC1NE6QE
Molecular formula	C15H11Cl3N2O
IUPAC name	2,2-dichloro-N-(4-chloropyridin-2-yl)-1-phenylcyclopropane-1-carboxamide
Molecular weight	341.616
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.7
Synonyms	488852-89-7 MolPort-002-576-777 2,2-dichloro-N-(4-chloropyridin-2-yl)-1-phenylcyclopropane-1-carboxamide MCULE-8239308210 SMR000431415 CHEMBL1340691 2,2-dichloro-N-(4-chloropyridin-2-yl)-1-phenylcyclopropanecarboxamide MLS000768068 AKOS005476597 STK548432 2,2-Dichloro-1-phenyl-cyclopropanecarboxylic acid (4-chloro-pyridin-2-yl)-amide HMS2809C16 [ Show all ]
Inchi Key	ACXBEPYLGCXLKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H11Cl3N2O/c16-11-6-7-19-12(8-11)20-13(21)14(9-15(14,17)18)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20,21)
PubChem CID	4587396
ChEMBL	CHEMBL1340691
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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