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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	CHEMBL1223278
Molecular formula	C12H17NO3
IUPAC name	N-[(2S)-1-(3-methoxyphenoxy)propan-2-yl]acetamide
Molecular weight	223.272
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.6
Synonyms	BDBM50416698
Inchi Key	BRRIQEQFTZEKLI-VIFPVBQESA-N
Inchi ID	InChI=1S/C12H17NO3/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
PubChem CID	49865375
ChEMBL	CHEMBL1223278
IUPHAR	N/A
BindingDB	50416698
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	302.0 nM	PMID20674373	BindingDB,ChEMBL
Ki	346.74 nM	PMID20674373	BindingDB
Ratio	0.8 -	PMID20674373	ChEMBL

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