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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	Melatonin receptor type 1A
Species	Homo sapiens (Human)
Gene	MTNR1A
Synonym	MT1 receptor MelR Mel1a receptor Mel-1A-R
Disease	Insomnia Anxiety disorder Circadian rhythm sleep disorder Major depressive disorder Sleep disorders
Length	350
Amino acid sequence	MQGNGSALPNASQPVLRGDGARPSWLASALACVLIFTIVVDILGNLLVILSVYRNKKLRNAGNIFVVSLAVADLVVAIYPYPLVLMSIFNNGWNLGYLHCQVSGFLMGLSVIGSIFNITGIAINRYCYICHSLKYDKLYSSKNSLCYVLLIWLLTLAAVLPNLRAGTLQYDPRIYSCTFAQSVSSAYTIAVVVFHFLVPMIIVIFCYLRIWILVLQVRQRVKPDRKPKLKPQDFRNFVTMFVVFVLFAICWAPLNFIGLAVASDPASMVPRIPEWLFVASYYMAYFNSCLNAIIYGLLNQNFRKEYRRIIVSLCTARVFFVDSSNDVADRVKWKPSPLMTNNNVVKVDSV
UniProt	P48039
Protein Data Bank	N/A
GPCR-HGmod model	P48039
3D structure model	This predicted structure model is from GPCR-EXP P48039.
BioLiP	N/A
Therapeutic Target Database	T97613
ChEMBL	CHEMBL1945
IUPHAR	287
DrugBank	BE0000515

Ligand

Name	CHEMBL34729
Molecular formula	C15H18N2O2
IUPAC name	N-[(4-methoxy-1H-indol-2-yl)methyl]cyclobutanecarboxamide
Molecular weight	258.321
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.2
Synonyms	N-[(4-Methoxy-1H-indole-2-yl)methyl]cyclobutanecarboxamide
Inchi Key	BDBFRVSIZCSSBS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H18N2O2/c1-19-14-7-3-6-13-12(14)8-11(17-13)9-16-15(18)10-4-2-5-10/h3,6-8,10,17H,2,4-5,9H2,1H3,(H,16,18)
PubChem CID	10563168
ChEMBL	CHEMBL34729
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
G-protein activation	98.0 -	PMID9733487	ChEMBL
GTP-gammaS index	0.05 -	PMID9733487	ChEMBL
IAr	-0.01 -	PMID11520198	ChEMBL
Intrinsic activity	-0.01 -	PMID12672242	ChEMBL
Ki	524.81 nM	PMID11520198, PMID9733487	ChEMBL
pRA	-3.44 -	PMID9733487	ChEMBL
pRA1	-3.26 -	PMID12672242	ChEMBL
Relative affinity	2700.0 -	PMID9733487	ChEMBL

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