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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	SMR000193353
Molecular formula	C21H18N2O2S
IUPAC name	[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
Molecular weight	362.447
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.3
Synonyms	AC1MFHTX F0742-0065 SR-01000422717 BDBM57463 MCULE-1668274261 [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-yl-methanone [5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](thiophen-2-yl)methanone 303787-34-0 ChemDiv1_002359 Oprea1_599975 AKOS003595086 HMS2435N04 SR-01000422717-1 MLS000570929 [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone 5-(4-methoxyphenyl)-3-phenyl-1-(2-thienylcarbonyl)-4,5-dihydro-1H-pyrazole cid_2871937 AKOS022091722 HMS593L05 STK854963 [5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-(2-thienyl)methanone (5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(thiophen-2-yl)methanone CHEMBL1359037 MolPort-000-841-633 [ Show all ]
Inchi Key	ADTLBIFDNHMORY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18N2O2S/c1-25-17-11-9-16(10-12-17)19-14-18(15-6-3-2-4-7-15)22-23(19)21(24)20-8-5-13-26-20/h2-13,19H,14H2,1H3
PubChem CID	2871937
ChEMBL	CHEMBL1359037
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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