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GLASS

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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	6-HYDROXYMELATONIN
Molecular formula	C13H16N2O3
IUPAC name	N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular weight	248.282
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.2
Synonyms	BDBM82509 CS-W012672 H-6490 Lopac-H-0627 MLS000860057 NCGC00093987-01 SCHEMBL674970 ZINC57344 3-(N-Acetylaminoethyl)-6-hydroxy-5-methoxyindole Acetamide, N-(2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl)- (9CI) CCG-204701 DTXSID00176577 HMS3370G03 LS-9709 N-[2-(6-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide # OMYMRCXOJJZYKE-UHFFFAOYSA-N SR-01000075901 6-Hydroxy-N-acetyl-5-methoxytryptamine Acetamide, N-[2-(6-hydroxy-5-methoxyindol-3-yl)ethyl]- GTPL1347 KB-178583 Melatonin,6-Hydroxy NCGC00015495-03 PDSP2_001770 TV437T5077 6-OH-melatonin AC1L1CEL BRN 0483231 CTK8F7147 HMS2231I10 Lopac0_000612 N-(2-(6-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl)acetamide NCGC00093987-02 SCHEMBL674971 5-22-12-00353 (Beilstein Handbook Reference) ACETAMIDE, N-(2-(6-HYDROXY-5-METHOXYINDOL-3-YL)ETHYL)- CCRIS 3473 EU-0100612 HY-W011956 melatonin, 6-Hydroxy NCGC00015495-01 PDSP1_001787 SR-01000075901-1 AKOS022663797 CHEMBL127421 H 0627 L024000 MFCD00037971 NCGC00015495-04 PDSP2_001795 UNII-TV437T5077 2208-41-5 6-OH-MLT Acetamide, N-(2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl)- C05643 D0S6SN HMS3261L06 LP00612 N-[2-(6-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide NCGC00261297-01 SMR000326915 6-hydroxy melatonin Acetamide, N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]- CHEBI:2198 FT-0669728 J-014482 Melatonin, 6-hydroxy- NCGC00015495-02 PDSP1_001812 Tox21_500612 0733A77F-D227-41FD-853E-28134CB5AC46 6-Hydroxymelatonine [ Show all ]
Inchi Key	OMYMRCXOJJZYKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
PubChem CID	1864
ChEMBL	CHEMBL127421
IUPHAR	1347
BindingDB	82509
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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