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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	MLS000736527
Molecular formula	C23H20N4O2S2
IUPAC name	N-[[3-(benzoylcarbamothioylamino)-4-methylphenyl]carbamothioyl]benzamide
Molecular weight	448.559
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	5.5
Synonyms	ZINC1687247 NSC5856 CHEMBL1426572 N-[[3-(benzoylcarbamothioylamino)-4-methylphenyl]carbamothioyl]benzamide AC1MO0B4 SMR000528060 HMS2885G16 NSC-5856 [ Show all ]
Inchi Key	AMKYWMQFCWYGEM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20N4O2S2/c1-15-12-13-18(24-22(30)26-20(28)16-8-4-2-5-9-16)14-19(15)25-23(31)27-21(29)17-10-6-3-7-11-17/h2-14H,1H3,(H2,24,26,28,30)(H2,25,27,29,31)
PubChem CID	3361436
ChEMBL	CHEMBL1426572
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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