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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	4-(3,4-Dihydro-1H-isoquinolin-2-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
Molecular formula	C20H18N4O
IUPAC name	4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
Molecular weight	330.391
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.7
Synonyms	AC1LIGWY SMR000434440 CHEMBL1533104 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole MLS000769793 AKOS005480921 STK554179 HMS2795K04 840471-85-4 MolPort-002-595-257 ZINC522518 MCULE-1026651811 [ Show all ]
Inchi Key	AAOZUMUCPQPFAA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N4O/c1-25-15-6-7-17-16(10-15)18-19(23-17)20(22-12-21-18)24-9-8-13-4-2-3-5-14(13)11-24/h2-7,10,12,23H,8-9,11H2,1H3
PubChem CID	931001
ChEMBL	CHEMBL1533104
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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