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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Melatonin receptor type 1A
Species	Sus scrofa (Pig)
Gene	MTNR1A
Synonym	Mel-1A-R Mel1a receptor
Disease	N/A for non-human GPCRs
Length	154
Amino acid sequence	YCYICHSLKYDRWYSNRNSLCCVFLICVLTLVAIVPNLCMGTLQYDPRIYSCTFAQSVSSAYTIAVVVFHFLVPMVIVIFRYLRIWVLVLQIRWRAKPENNPRLKPQDFRNFVTMFVVFVLFAICWAPLNFIGLAVASDPASMAPRIPEWLFVA
UniProt	O02781
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	N/A
DrugBank	N/A

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	NCGC00015495-04 PDSP2_001795 UNII-TV437T5077 2208-41-5 6-OH-MLT AKOS022663797 CHEMBL127421 H 0627 L024000 MFCD00037971 NCGC00261297-01 SMR000326915 6-hydroxy melatonin 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 PDSP1_001812 Tox21_500612 0733A77F-D227-41FD-853E-28134CB5AC46 6-Hydroxymelatonine Acetamide, N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]- CHEBI:2198 FT-0669728 J-014482 Melatonin, 6-hydroxy- NCGC00015495-02 NCGC00093987-01 SCHEMBL674970 ZINC57344 3-(N-Acetylaminoethyl)-6-hydroxy-5-methoxyindole BDBM82509 CS-W012672 H-6490 Lopac-H-0627 MLS000860057 OMYMRCXOJJZYKE-UHFFFAOYSA-N SR-01000075901 6-Hydroxy-N-acetyl-5-methoxytryptamine 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 # NCGC00015495-03 PDSP2_001770 TV437T5077 6-OH-melatonin Acetamide, N-[2-(6-hydroxy-5-methoxyindol-3-yl)ethyl]- GTPL1347 KB-178583 Melatonin,6-Hydroxy NCGC00093987-02 SCHEMBL674971 5-22-12-00353 (Beilstein Handbook Reference) AC1L1CEL BRN 0483231 CTK8F7147 HMS2231I10 Lopac0_000612 N-(2-(6-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl)acetamide PDSP1_001787 SR-01000075901-1 ACETAMIDE, N-(2-(6-HYDROXY-5-METHOXYINDOL-3-YL)ETHYL)- CCRIS 3473 EU-0100612 HY-W011956 melatonin, 6-Hydroxy NCGC00015495-01 [ 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
Ki	10.23 nM	PMID9618428	BindingDB
Ki	25.11 nM	PMID9618428	BindingDB

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