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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Melatonin receptor type 1B
Species	Homo sapiens (Human)
Gene	MTNR1B
Synonym	MT2 receptor mel1b receptor Mel-1B-R
Disease	Epilepsy
Length	362
Amino acid sequence	MSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVMGLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRLCLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFNSCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQADAL
UniProt	P49286
Protein Data Bank	N/A
GPCR-HGmod model	P49286
3D structure model	This predicted structure model is from GPCR-EXP P49286.
BioLiP	N/A
Therapeutic Target Database	T48268
ChEMBL	CHEMBL1946
IUPHAR	288
DrugBank	BE0000327

Ligand

Name	CHEMBL2326200
Molecular formula	C22H25NO3
IUPAC name	N-[3-[5-methoxy-2-[2-(3-methoxyphenyl)ethynyl]phenyl]propyl]propanamide
Molecular weight	351.446
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BDBM50426656 N-[3-[2-[(3-Methoxyphenyl)ethynyl]-5-methoxyphenyl]propyl]propanamide
Inchi Key	ABJOHSLYSRTJAR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25NO3/c1-4-22(24)23-14-6-8-19-16-21(26-3)13-12-18(19)11-10-17-7-5-9-20(15-17)25-2/h5,7,9,12-13,15-16H,4,6,8,14H2,1-3H3,(H,23,24)
PubChem CID	71508232
ChEMBL	CHEMBL2326200
IUPHAR	N/A
BindingDB	50426656
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.11 nM	PMID23228808	BindingDB
EC50	0.11 nM	PMID23228808	ChEMBL
Ki	0.073 nM	PMID23228808	ChEMBL
Ki	0.073 nM	PMID23228808	BindingDB

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