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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	SMR000128117
Molecular formula	C24H20N2O2
IUPAC name	5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol
Molecular weight	368.436
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	5.2
Synonyms	MLS000522851 AC1OGJ0F CCG-113194 STK521299 cid_7118245 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol AKOS000356396 MolPort-003-840-873 ZINC4165015 5-(di-1H-indol-3-ylmethyl)-2-methoxyphenol MCULE-3144917386 6-Methoxy-3-[bis(1H-indole-3-yl)methyl]phenol BDBM41667 CHEMBL1373985 5-[bis(1H-indol-3-yl)methyl]-2-methoxy-phenol [ Show all ]
Inchi Key	CWMPUSKUSXTPAT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3
PubChem CID	7118245
ChEMBL	CHEMBL1373985
IUPHAR	N/A
BindingDB	41667
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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