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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	TCMDC-125610
Molecular formula	C19H15BrN2O2S
IUPAC name	(5-bromofuran-2-yl)-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
Molecular weight	415.305
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.2
Synonyms	SR-01000444290-1 (5-bromofuran-2-yl)(3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone AKOS016897651 HMS2304H07 UPCMLD0ENAT5669809:001 1-(5-bromofuran-2-carbonyl)-5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole CHEMBL535315 MLS000534448 SMR000141884 (5-bromo-2-furanyl)-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone AC1MF83R EU-0039512 ST51023113 (5-bromofuran-2-yl)-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone BDBM57143 HMS601G09 Z220617802 361480-34-4 ChemDiv1_005069 MolPort-003-054-859 SR-01000444290 (5-bromo-2-furyl)-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]methanone AKOS001301712 F0805-0131 1-(5-bromo-2-furoyl)-5-(4-methylphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole MCULE-1370452311 SJ000173461 (5-bromanylfuran-2-yl)-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone 5-bromo(2-furyl) 5-(4-methylphenyl)-3-(2-thienyl)(2-pyrazolinyl) ketone cid_2915215 [ Show all ]
Inchi Key	ABOGBSWBGACBGA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15BrN2O2S/c1-12-4-6-13(7-5-12)15-11-14(17-3-2-10-25-17)21-22(15)19(23)16-8-9-18(20)24-16/h2-10,15H,11H2,1H3
PubChem CID	2915215
ChEMBL	CHEMBL535315
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	10000.0 nM	PubChem BioAssay data set	ChEMBL

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