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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	3-(2-Methylaminoethyl)indol-5-ol oxalate
Molecular formula	C13H16N2O5
IUPAC name	3-[2-(methylamino)ethyl]-1H-indol-5-ol;oxalic acid
Molecular weight	280.28
Hydrogen bond acceptor	6
Hydrogen bond donor	5
XlogP	None
Synonyms	AC1L6327 DTXSID80293695 J-012764 N-omega-Methyl-5-hydroxytryptamine oxalate salt NSC-91541 ST055634 5-Hydroxy-N-omega-methyltryptamine, oxalate salt AKOS024282337 FT-0620492 MCULE-1823155663 NCGC00261428-01 N\|O-Methylserotonin oxalate salt 5-hydroxy-nw-methyltryptamine oxalate CHEMBL1256286 HMS3262E08 N-Methylserotonin oxalate Nomega-Methyl-5-hydroxy??trypt??amine oxalate salt, >=98% (alkalimetric) SR-01000075980 1975-81-1 AC1Q5RMG EINECS 239-611-4 LP00743 N-omega-Methylserotonin NSC91541 Tox21_500743 3-[2-(methylamino)ethyl]-1H-indol-5-ol; oxalic acid 5-Hydroxy-Nomega-methyltryptamine oxalate CCG-222047 H-7000 MFCD00013159 Nomega'-Methyl-5-hydroxy trypt amine oxalate salt SCHEMBL1320479 5-Hydroxy-N\|O-methyltryptamine oxalate CTK0I2793 HMS3371J12 N-omega-METHYL-5-HYDROXYTRYPTAMINE Nomega-Methylserotonin oxalate salt SR-01000075980-1 3-(2-(Methylamino)ethyl)-1H-indol-5-ol oxalate 3-[2-(methylamino)ethyl]indol-5-ol, ethanedioic acid ACM1975811 EU-0100743 M 1514 NCGC00094085-01 N\|O-Methyl-5-hydroxy-trypt-amine oxalate salt 5-Hydroxy-Nomega-methyltryptamine oxalate, 99% HMS2234N19 MLS000859941 Nomega-Methyl-5-hydroxy-trypt-amine oxalate salt SMR000326801 15558-50-6 [ Show all ]
Inchi Key	DYOZWAJOUTVNAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N2O.C2H2O4/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;3-1(4)2(5)6/h2-3,6-7,12-14H,4-5H2,1H3;(H,3,4)(H,5,6)
PubChem CID	260390
ChEMBL	CHEMBL1256286
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	398.1 nM	PubChem BioAssay data set	ChEMBL

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