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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	2-Iodomelatonin
Molecular formula	C13H15IN2O2
IUPAC name	N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular weight	358.179
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.3
Synonyms	DB08190 KB-270628 N-(2-(2-Iodo-5-methoxy-1H-indol-3-yl)ethyl)acetamide NCGC00024758-01 Tocris-0737 AC1Q5P6Z BRD-K25649279-001-01-2 FJDDSMSDZHURBJ-UHFFFAOYSA-N Lopac0_000610 n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide PDSP2_001768 acetamide,n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]- D08VEJ HMS3266P03 ML2 NCGC00015552-02 SR-01000075935-1 A15343 BDBM29611 DTXSID30239462 L000060 N-acetyl-2-iodo-5-methoxytriptamine NCGC00024758-02 ZINC2516056 2-I-MLT Acetamide, N-(2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl)- CCG-204699 CHEMBL289233 FT-0737435 LS-9790 N-[2-(2-IODO-5-METHOXYINDOL-3-YL)ETHYL]ACETAMIDE SCHEMBL163451 AKOS024458623 D0H6YF I 1899 MolPort-003-983-480 NCGC00015552-03 SR-01000075935-3 AC1L3GZ8 BN0011 EU-0100610 Lopac-I-1899 N-Acetyl-2-iodo-5-methoxytryptamine PDSP1_001785 2-iodo-melatonin Acetamide, N-(2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl)-, (3beta)- CHEBI:109558 CTK8F4316 GTPL1343 Melatonin,2-Iodo NCGC00015552-01 SR-01000075935 93515-00-5 B6428 [ Show all ]
Inchi Key	FJDDSMSDZHURBJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
PubChem CID	115348
ChEMBL	CHEMBL289233
IUPHAR	1343
BindingDB	29611
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	0.03 nM	PMID9618428	BindingDB
Ki	0.04 nM	PMID9618428	BindingDB

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