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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	2-[(2,4-dichlorobenzyl)sulfanyl]-N-methyl-6-[(methylsulfanyl)methyl]-4-pyrimidinamine
Molecular formula	C14H15Cl2N3S2
IUPAC name	2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-6-(methylsulfanylmethyl)pyrimidin-4-amine
Molecular weight	360.315
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.6
Synonyms	CHEMBL1490458 ZINC1387642 341965-70-6 KS-00001QVU Bionet1_002652 MolPort-002-851-427 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-6-(methylsulfanylmethyl)pyrimidin-4-amine HMS2498I09 AC1LRPQN MCULE-4082674942 10L-618S SMR000178903 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-N-methyl-6-[(methylsulfanyl)methyl]pyrimidin-4-amine HMS576A14 AKOS005075502 MLS000326273 [ Show all ]
Inchi Key	ADANYFWPHVSRKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15Cl2N3S2/c1-17-13-6-11(8-20-2)18-14(19-13)21-7-9-3-4-10(15)5-12(9)16/h3-6H,7-8H2,1-2H3,(H,17,18,19)
PubChem CID	1475538
ChEMBL	CHEMBL1490458
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	31622.8 nM	PubChem BioAssay data set	ChEMBL

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