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GLASS

You can:

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-CHLOROMELATONIN
Molecular formula	C13H15ClN2O2
IUPAC name	N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular weight	266.725
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.2
Synonyms	HMS2234G13 LS-8570 N-[2-(6-Chloro-5-methoxy-1H-indol-3-yl)-ethyl]-acetamide NCGC00015203-05 PDSP2_001769 Tox21_500178 Acetamide, N-(2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl)- CHEBI:109545 CTK8F7109 HMS3374G08 MLS002153444 N-[2-(6-CHLORO-5-METHOXYINDOL-3-YL)ETHYL]ACETAMIDE NCGC00024593-02 SMR001230810 6-Cl-melatonin BDBM50043289 EU-0100178 Lopac0_000178 N-Acetyl-6-chloro-5-methoxytryptamine NCGC00015203-03 NCGC00260863-01 SR-01000075735-3 AC1L1CE9 C 0331 HMS3260D17 LUINDDOUWHRIPW-UHFFFAOYSA-N N-[2-(6-Chloro-5-methoxy-1H-indol-3-yl)-ethyl]-acetamide(6-Chloromelatonin) NCGC00015203-06 SCHEMBL677517 ZB002048 AKOS024458157 D0B8PD L000082 MolPort-004-964-764 NCGC00015203-01 NCGC00024593-03 SR-01000075735 6-Cl-MLT BRD-K34663752-001-02-6 GTPL1346 LP00178 N-[2-(5-Methoxy-6-chloroindol-3-yl)ethyl]acetamide NCGC00015203-04 PDSP1_001786 Tocris-0443 AC1Q3LDV CCG-204273 HMS3266A08 melatonin, 6-Chloro n-[2-(6-chloro-5-methoxy-1h-indol-3-yl)ethyl]acetamide NCGC00024593-01 SCHEMBL677518 ZINC57237 B6307 CHEMBL34730 DTXSID30213202 Lopac-C-0331 N-(2-(6-Chloro-5-methoxy-1H-indol-3-yl)ethyl)acetamide NCGC00015203-02 NCGC00024593-04 SR-01000075735-1 63762-74-3 BRN 0410191 [ Show all ]
Inchi Key	LUINDDOUWHRIPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
PubChem CID	1858
ChEMBL	CHEMBL34730
IUPHAR	1346
BindingDB	50043289
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	0.46 nM	PMID9618428	BindingDB
Ki	0.74 nM	PMID9618428	BindingDB

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