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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.
Go to the GPCR page and check other ligands which interact with it.
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GPCR

Name	Cannabinoid receptor 2
Species	Homo sapiens (Human)
Gene	CNR2
Synonym	Peripheral cannabinoid receptor rCB2 hCB2 cannabinoid receptor 2 (macrophage) cannabinoid receptor 2 (spleen) CB-2 CB2 CB2 receptor CB2-R CX5 [ Show all ]
Disease	Immune disorder Inflammatory bowel disease Inflammatory disease Neuropathic pain Osteoporosis Pain Atopic dermatitis Rheumatoid arthritis [ Show all ]
Length	360
Amino acid sequence	MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
UniProt	P34972
Protein Data Bank	5zty
GPCR-HGmod model	P34972
3D structure model	This structure is from PDB ID 5zty.
BioLiP	BL0438927
Therapeutic Target Database	T37693
ChEMBL	CHEMBL253
IUPHAR	57
DrugBank	BE0000095

Ligand

Name	AC1LEVMS
Molecular formula	C17H13NO2
IUPAC name	isoquinolin-1-yl-(4-methoxyphenyl)methanone
Molecular weight	263.296
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.7
Synonyms	CHEMBL549291 MCULE-3159782761 SR-01000746439-2 1-Isoquinolyl(4-methoxyphenyl)ketone HMS2708N15 Oprea1_799084 ZINC64907 AKOS000808019 isoquinolin-1-yl-(4-methoxyphenyl)methanone SMR000372949 EU-0047376 MLS000516298 ST50037065 IFLab1_005087 Oprea1_800642 isoquinolyl 4-methoxyphenyl ketone SR-01000746439 1-(4-Methoxybenzoyl)isoquinoline HMS1426H05 MolPort-000-422-269 STL488047 AEHSAUPWRMSRNX-UHFFFAOYSA-N isoquinolin-1-yl(4-methoxyphenyl)methanone SCHEMBL1445542 [ Show all ]
Inchi Key	AEHSAUPWRMSRNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H13NO2/c1-20-14-8-6-13(7-9-14)17(19)16-15-5-3-2-4-12(15)10-11-18-16/h2-11H,1H3
PubChem CID	693112
ChEMBL	CHEMBL549291
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
Activity	17.0 %	PMID19477133	ChEMBL

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