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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-(2,5-dinitrothiophen-3-yl)pyrimidine
Molecular formula	C8H4N4O4S
IUPAC name	2-(2,5-dinitrothiophen-3-yl)pyrimidine
Molecular weight	252.204
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.9
Synonyms	2-(2,5-dinitro-3-thienyl)pyrimidine 2-{2,5-bisnitro-3-thienyl}pyrimidine HMS2611I20 AI-942/13331097 SMR000226688 2-(2,5-dinitro-3-thiophenyl)pyrimidine CHEMBL1400481 MLS000700336 BDBM34827 cid_3319616 AC1MOFRG REGID_for_CID_3319616 [ Show all ]
Inchi Key	JHHSYNZURGGRBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
PubChem CID	3319616
ChEMBL	CHEMBL1400481
IUPHAR	N/A
BindingDB	34827
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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