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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	SMR000155256
Molecular formula	C19H17ClN4O2S
IUPAC name	ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate
Molecular weight	400.881
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	6.6
Synonyms	CHEMBL3199132 2-(2-anilinothiazol-4-yl)-2-[(4-chlorophenyl)hydrazono]acetic acid ethyl ester ethyl 2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate BDBM57241 cid_5101936 AC1O34CO ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-(2-phenylazanyl-1,3-thiazol-4-yl)ethanoate 2-(2-anilino-4-thiazolyl)-2-[(4-chlorophenyl)hydrazinylidene]acetic acid ethyl ester ethyl (2Z)-2-(2-anilino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)hydrazinylidene]acetate AKOS001038599 MLS000535935 [ Show all ]
Inchi Key	AAMBFOICAXXPQH-ULJHMMPZSA-N
Inchi ID	InChI=1S/C19H17ClN4O2S/c1-2-26-18(25)17(24-23-15-10-8-13(20)9-11-15)16-12-27-19(22-16)21-14-6-4-3-5-7-14/h3-12,23H,2H2,1H3,(H,21,22)/b24-17-
PubChem CID	6270682
ChEMBL	CHEMBL3199132
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	31622.8 nM	PubChem BioAssay data set	ChEMBL

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