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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.
Go to the ligand page and check other GPCRs which it interacts with.
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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	1-(1-Pentyl-1H-indol-3-yl)-2-phenylethanone
Molecular formula	C21H23NO
IUPAC name	1-(1-pentylindol-3-yl)-2-phenylethanone
Molecular weight	305.421
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	5.0
Synonyms	AJ-83459 DTXSID20235554 KB-212442 AX8250724 UNII-LQX1W3537N CHEMBL365878 AKOS016000818 JWH 167 LQX1W3537N 1-pentyl-3-phenylacetylindole BDBM50170338 ZINC28460304 864445-37-4 D05EWD 1-(1-Pentyl-1H-indol-3-yl)-2-phenyl-ethanone AMCPOEOUXQWESI-UHFFFAOYSA-N JWH-167 SCHEMBL20552905 3543AC [ Show all ]
Inchi Key	AMCPOEOUXQWESI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23NO/c1-2-3-9-14-22-16-19(18-12-7-8-13-20(18)22)21(23)15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3
PubChem CID	44397502
ChEMBL	CHEMBL365878
IUPHAR	N/A
BindingDB	50170338
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	158.85 nM	PMID19249138	BindingDB,ChEMBL
Ki	159.0 nM	PMID16005223	BindingDB,ChEMBL

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