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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	CHEMBL125642
Molecular formula	C16H20N2O2
IUPAC name	N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]cyclopropanecarboxamide
Molecular weight	272.348
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BDBM50149176 Cyclopropanecarboxylic acid [3-(2-ethyl-benzooxazol-7-yl)-propyl]-amide
Inchi Key	CWDUPBUCCVAMPX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H20N2O2/c1-2-14-18-13-7-3-5-11(15(13)20-14)6-4-10-17-16(19)12-8-9-12/h3,5,7,12H,2,4,6,8-10H2,1H3,(H,17,19)
PubChem CID	44348996
ChEMBL	CHEMBL125642
IUPHAR	N/A
BindingDB	50149176
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	4.7 nM	PMID15203165	BindingDB,ChEMBL

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