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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	AC1MCUWY
Molecular formula	C17H11Cl2N3S2
IUPAC name	2-(2,4-dichlorophenyl)sulfanyl-6-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyridine-3-carbonitrile
Molecular weight	392.316
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.7
Synonyms	HMS2803K08 MolPort-002-892-917 2-[(2,4-dichlorophenyl)thio]-6-methyl-5-(2-methyl-1,3-thiazol-4-yl)nicotinonitrile ZINC1046985 MCULE-5838707778 Oprea1_160891 CHEMBL1518949 MLS000851067 2-(2,4-dichlorophenyl)sulfanyl-6-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyridine-3-carbonitrile SMR000457310 CCG-234214 [ Show all ]
Inchi Key	AGMRTOCZWJMTSS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H11Cl2N3S2/c1-9-13(15-8-23-10(2)22-15)5-11(7-20)17(21-9)24-16-4-3-12(18)6-14(16)19/h3-6,8H,1-2H3
PubChem CID	2801261
ChEMBL	CHEMBL1518949
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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