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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	SMR000091760
Molecular formula	C20H15N5O3S
IUPAC name	2-[1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]isoindole-1,3-dione
Molecular weight	405.432
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.8
Synonyms	2-[1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]isoindoline-1,3-quinone MolPort-006-757-831 REGID_for_CID_4246341 HMS1652J04 AKOS001675528 MLS000114360 2-{1-[3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-isoindole-1,3(2H)-dione CHEMBL1360426 NCGC00086130-02 AB00429613-11 HMS2260G16 2-[1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]isoindole-1,3-dione BDBM42483 MLS002585277 2-{[3-(4-methoxyphenyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl]ethyl}ben zo[c]azoline-1,3-dione cid_4246341 Oprea1_668724 ST50426674 AC1N75F9 MCULE-8481413604 [ Show all ]
Inchi Key	ABAGTJARVQFMJH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H15N5O3S/c1-11(24-18(26)14-5-3-4-6-15(14)19(24)27)17-23-25-16(21-22-20(25)29-17)12-7-9-13(28-2)10-8-12/h3-11H,1-2H3
PubChem CID	4246341
ChEMBL	CHEMBL1360426
IUPHAR	N/A
BindingDB	42483
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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