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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL488787
Molecular formula	C29H20Cl3N7O
IUPAC name	2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazol-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
Molecular weight	588.877
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	6.9
Synonyms	BDBM50275481 SCHEMBL922382 2-(4-((1h-1,2,4-triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1h-pyrazol-3-yl)-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
Inchi Key	ACIDUOVQXWIJER-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H20Cl3N7O/c30-20-8-6-18(7-9-20)26-22(15-38-17-33-16-34-38)25(37-39(26)24-11-10-21(31)14-23(24)32)27-35-36-28(40-27)29(12-13-29)19-4-2-1-3-5-19/h1-11,14,16-17H,12-13,15H2
PubChem CID	25149437
ChEMBL	CHEMBL488787
IUPHAR	N/A
BindingDB	50275481
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1130.0 nM	PMID18954042	BindingDB,ChEMBL

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