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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.
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 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	CHEMBL136531
Molecular formula	C16H22N2O2
IUPAC name	N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]butanamide
Molecular weight	274.364
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.4
Synonyms	N-[(3S)-1-(2,3-Dihydrobenzofuran-4-yl)-3-pyrrolidinyl]butanamide N-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-butyramide SCHEMBL6584731 BDBM50136402
Inchi Key	AUJCIORXQAONNC-LBPRGKRZSA-N
Inchi ID	InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1
PubChem CID	44358146
ChEMBL	CHEMBL136531
IUPHAR	N/A
BindingDB	50136402
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	0.31 nM	PMID14643330	ChEMBL
Ki	0.31 nM	PMID14643330	BindingDB

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