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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	N-(3,3-diphenylpropyl)acetamide
Molecular formula	C17H19NO
IUPAC name	N-(3,3-diphenylpropyl)acetamide
Molecular weight	253.345
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.3
Synonyms	DTXSID70408872 Acetamide, N-(3,3-diphenylpropyl)- SCHEMBL4219824 CHEMBL219177 17665-85-9 MCULE-7963537969 AKOS003869783 ST51030466 CTK0E3725 AC1NP6N5 ZINC5899983 [ Show all ]
Inchi Key	BEQAMJVWYSBETG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19NO/c1-14(19)18-13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,18,19)
PubChem CID	5151463
ChEMBL	CHEMBL219177
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	-0.23 -	PMID17149869	ChEMBL
Ki	141.25 nM	PMID17149869	ChEMBL

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