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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	CHEMBL33172
Molecular formula	C21H21ClN2O
IUPAC name	N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
Molecular weight	352.862
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	4.9
Synonyms	N/A
Inchi Key	CKYSLUASXGFTIX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21ClN2O/c22-16-9-10-19-18(13-16)17(11-12-23-21(25)15-7-4-8-15)20(24-19)14-5-2-1-3-6-14/h1-3,5-6,9-10,13,15,24H,4,7-8,11-12H2,(H,23,25)
PubChem CID	44281239
ChEMBL	CHEMBL33172
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	0.65 -	PMID12672242	ChEMBL

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