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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	AC1OC89K
Molecular formula	C12H9Cl2N3OS
IUPAC name	[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]thiourea
Molecular weight	314.184
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.5
Synonyms	AB00074642-01 SCHEMBL12417171 BAS 00246727 MLS000525770 SMR000116244 5-(2,5-DICHLOROPHENYL)-2-FURALDEHYDE THIOSEMICARBAZONE MolPort-000-886-298 AKOS000304376 [(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]thiourea CHEMBL3193305 [ Show all ]
Inchi Key	ADXFRNKHMYIVPJ-OMCISZLKSA-N
Inchi ID	InChI=1S/C12H9Cl2N3OS/c13-7-1-3-10(14)9(5-7)11-4-2-8(18-11)6-16-17-12(15)19/h1-6H,(H3,15,17,19)/b16-6+
PubChem CID	6896701
ChEMBL	CHEMBL3193305
IUPHAR	N/A
BindingDB	N/A
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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