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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	SMR000211820
Molecular formula	C23H21N5O2
IUPAC name	2-methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline
Molecular weight	399.454
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.4
Synonyms	A2409/0102076 MCULE-1722260992 STK068794 BDBM83317 Oprea1_580085 1-(2-methyl(4-quinolyl))-4-(5-nitro(8-quinolyl))piperazine cid_2885420 SR-01000452384-1 2-methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline AC1MEWOU MLS000587739 ZINC18121970 2-methyl-4-[4-(5-nitro-8-quinolinyl)-1-piperazinyl]quinoline HMS2540G07 ST053402 AKOS000442244 MolPort-000-824-650 CHEMBL1545927 SR-01000452384 2-methyl-4-[4-(5-nitro-8-quinolyl)piperazino]quinoline [ Show all ]
Inchi Key	BDDPXUZRHMQXHU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21N5O2/c1-16-15-22(17-5-2-3-7-19(17)25-16)27-13-11-26(12-14-27)21-9-8-20(28(29)30)18-6-4-10-24-23(18)21/h2-10,15H,11-14H2,1H3
PubChem CID	2885420
ChEMBL	CHEMBL1545927
IUPHAR	N/A
BindingDB	83317
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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