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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	3-(4-methylphenyl)-6-phenyl-3,4-dihydro-1,3,5-triazine-2(1H)-thione
Molecular formula	C16H15N3S
IUPAC name	3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
Molecular weight	281.377
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.3
Synonyms	AC1LG1TF EU-0068293 SMR000140554 CB09172 HMS2484J06 SR-01000401244-1 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione 6-phenyl-3-(p-tolyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione MolPort-002-356-042 AKOS000275264 F1430-0092 SMSF0006548 CBMicro_006845 MCULE-3660703582 ZINC8581689 3-(4-methylphenyl)-6-phenyl-1H,4H-1,3,5-triazine-2-thione 6-Phenyl-3-p-tolyl-3,4-dihydro-1H-[1,3,5]triazine-2-thione CHEMBL1401622 SBB046010 BIM-0006740.P001 HMS1653K22 SR-01000401244 173276-46-5 CHEBI:106019 MLS000533116 [ Show all ]
Inchi Key	AIMWEBWUEILSCH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15N3S/c1-12-7-9-14(10-8-12)19-11-17-15(18-16(19)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18,20)
PubChem CID	763786
ChEMBL	CHEMBL1401622
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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