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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	CHEMBL33869
Molecular formula	C19H20N2O2
IUPAC name	N-[2-(5-methoxy-1-phenylindol-3-yl)ethyl]acetamide
Molecular weight	308.381
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.2
Synonyms	N-Acetyl-1-phenyl-5-methoxy-1H-indole-3-ethanamine
Inchi Key	MHWIVZQVAFEKPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20N2O2/c1-14(22)20-11-10-15-13-21(16-6-4-3-5-7-16)19-9-8-17(23-2)12-18(15)19/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
PubChem CID	10447987
ChEMBL	CHEMBL33869
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
Intrinsic activity	0.53 -	PMID12672242	ChEMBL
Ki	134.9 nM	PMID12672242	ChEMBL

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