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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	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	CHEMBL3120632
Molecular formula	C29H41NO2
IUPAC name	(1S,12S,15R,16S,17S,20S)-16-[(E)-4-methoxy-4-methylpent-2-enyl]-1,16,20-trimethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-ol
Molecular weight	435.652
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	6.5
Synonyms	BDBM50448076 27-O-Methylasporyzin C
Inchi Key	TXDUYXUPRRYHRW-MYFCUFBASA-N
Inchi ID	InChI=1S/C29H41NO2/c1-26(2,32-6)15-9-16-27(3)23-13-12-19-18-21-20-10-7-8-11-22(20)30-25(21)29(19,5)28(23,4)17-14-24(27)31/h7-11,15,19,23-24,30-31H,12-14,16-18H2,1-6H3/b15-9+/t19-,23-,24-,27-,28-,29+/m0/s1
PubChem CID	76325292
ChEMBL	CHEMBL3120632
IUPHAR	N/A
BindingDB	50448076
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	33.0 %	PMID24471526	ChEMBL
Ki	<10000.0 nM	PMID24471526	ChEMBL

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