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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	2-hydroxy-N'-(4-methylphenyl)-2,2-bis[3-(trifluoromethyl)phenyl]acetohydrazide
Molecular formula	C23H18F6N2O2
IUPAC name	2-hydroxy-N'-(4-methylphenyl)-2,2-bis[3-(trifluoromethyl)phenyl]acetohydrazide
Molecular weight	468.399
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	6.6
Synonyms	A1219/0056176 MCULE-1587785286 C23H18F6N2O2 SMR000146526 2-hydroxy-N'~1~-(4-methylphenyl)-2,2-bis[3-(trifluoromethyl)phenyl]acetohydrazide HMS2576N17 AC1LZDLS MLS000554209 STK754434 339302-77-1 Hydroxy-bis-(3-trifluoromethyl-phenyl)-acetic acid N'-p-tolyl-hydrazide AKOS001712727 MolPort-002-549-659 CHEMBL1341114 ZINC2272416 [ Show all ]
Inchi Key	AHWLNYUKCUYVBM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H18F6N2O2/c1-14-8-10-19(11-9-14)30-31-20(32)21(33,15-4-2-6-17(12-15)22(24,25)26)16-5-3-7-18(13-16)23(27,28)29/h2-13,30,33H,1H3,(H,31,32)
PubChem CID	1898067
ChEMBL	CHEMBL1341114
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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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