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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	MLS000532255
Molecular formula	C22H23ClN4
IUPAC name	2-(dibenzylamino)-4-(dimethylamino)pyridine-3-carbonitrile;hydrochloride
Molecular weight	378.904
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	None
Synonyms	2-(dibenzylamino)-4-(dimethylamino)nicotinonitrile hydrochloride REGID_for_CID_2834675 SR-01000199184-1 2-(dibenzylamino)-4-(dimethylamino)pyridine-3-carbonitrile hydrochloride SMR000137194 CHEMBL1492859 MolPort-002-137-047 AC1MDCQD SR-01000199184 MCULE-5449359360 [ Show all ]
Inchi Key	CAEURPQUAPKVTN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N4.ClH/c1-25(2)21-13-14-24-22(20(21)15-23)26(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;/h3-14H,16-17H2,1-2H3;1H
PubChem CID	2834675
ChEMBL	CHEMBL1492859
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	25118.9 nM	PubChem BioAssay data set	ChEMBL

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