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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.
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GPCR

Name	Melatonin receptor type 1B
Species	Mus musculus (Mouse)
Gene	Mtnr1b
Synonym	Mel-1B-R Mel1b receptor MT2 receptor
Disease	N/A for non-human GPCRs
Length	364
Amino acid sequence	MPENSSIPNCCEASGLAARPSWSGSAGARPPVTARAPWVAPMLSTVVVVTTAVDFVGNLLVILSVLRNRKLRNAGNLFVVSLALADLVIALYPYPLILVAIIRDGWVLGEAHCKASAFVMGLSVIGSVFNITAIAINRYCCICHSTTYHRVCSHWYTPIYISLVWLLTLVALVPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVAIHFLLPMAVVSFCYLRIWVLVLQARRKAKATRKLRLRPSDLRSFLTMFAVFVVFAICWAPLNCIGLAVAINPEAMALQVPEGLFVTSYFLAYFNSCLNAIVYGLLNQNFRREYKRILLAIWNTRRCIQHASKHCLTEERQGPTPPAARATVPVKEGAL
UniProt	Q8CIQ6
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	288
DrugBank	N/A

Ligand

Name	IIK7
Molecular formula	C22H24N2O2
IUPAC name	N-[2-(2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide
Molecular weight	348.446
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.7
Synonyms	AC1N5IDZ GTPL1350 N-Butanoyl 2-(9-methoxy-6H-iso-indolo[2,1-a]indol-11-yl)-ethan-amine NCGC00094053-01 N-[2-(2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide SR-01000075939 D01SNS Lopac-I-5531 NCGC00015557-02 BDBM50086013 I 5531 N-Butanoyl 2-(9-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethanamine NCGC00094053-02 CHEMBL10009 IIK7, solid N-[2-(2-methoxy-6H-isoindolo[2,3-a]indol-11-yl)ethyl]butanamide SR-01000075939-1 EU-0100701 Lopac0_000701 NCGC00015557-03 CCG-204786 IIK-7 N-[2-(2-Methoxy-6H-isoindolo[2,1-a]indol-11-yl)-ethyl]-butyramide SCHEMBL19612546 CTK8G0268 L000306 NCGC00015557-01 ZINC2510569 [ Show all ]
Inchi Key	RQYIUGOJQFWLAZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9-10-20(19)24-14-15-7-4-5-8-17(15)22(18)24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)
PubChem CID	4172142
ChEMBL	CHEMBL10009
IUPHAR	1350
BindingDB	50086013
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	0.052 nM	PMID24106342	IUPHAR

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