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GLASS

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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	MLS000528306
Molecular formula	C14H12N4S
IUPAC name	N-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Molecular weight	268.338
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	2-(3-methylpyridylamino)-4-(2-pyridyl)thiazole N-(3-methyl-2-pyridyl)-4-(2-pyridyl)thiazol-2-amine ZINC613283 AKOS000563477 HMS2177P16 SCHEMBL16112373 (3-methyl-2-pyridyl)-[4-(2-pyridyl)thiazol-2-yl]amine BDBM49381 MolPort-002-013-561 ST090278 CHEMBL528694 N-(3-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine AUWIYYMLXLLRIY-UHFFFAOYSA-N MCULE-7785909335 SJ000113257 (3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine CCG-120096 N-(3-methyl-2-pyridinyl)-4-(2-pyridinyl)-2-thiazolamine TCMDC-125846 AC1LJEER cid_972880 N-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine (3-methyl(2-pyridyl))(4-(2-pyridyl)(1,3-thiazol-2-yl))amine BAS 08770268 SMR000120881 [ Show all ]
Inchi Key	AUWIYYMLXLLRIY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H12N4S/c1-10-5-4-8-16-13(10)18-14-17-12(9-19-14)11-6-2-3-7-15-11/h2-9H,1H3,(H,16,17,18)
PubChem CID	972880
ChEMBL	CHEMBL528694
IUPHAR	N/A
BindingDB	49381
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	4.5 nM	PubChem BioAssay data set	ChEMBL
Potency	794.3 nM	PubChem BioAssay data set	ChEMBL
Potency	10000.0 nM	PubChem BioAssay data set	ChEMBL

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