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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	CHEMBL1269764
Molecular formula	C38H31Cl6N7O2
IUPAC name	5-(4-chlorophenyl)-N-[2-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]ethylamino]ethyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
Molecular weight	830.413
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	10.2
Synonyms	BDBM50328955 N,N''-(Iminodiethane-2,1-diyl)bis[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide]
Inchi Key	BAXHFHNXVCEHCG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C38H31Cl6N7O2/c1-21-33(48-50(31-13-11-27(41)19-29(31)43)35(21)23-3-7-25(39)8-4-23)37(52)46-17-15-45-16-18-47-38(53)34-22(2)36(24-5-9-26(40)10-6-24)51(49-34)32-14-12-28(42)20-30(32)44/h3-14,19-20,45H,15-18H2,1-2H3,(H,46,52)(H,47,53)
PubChem CID	49780575
ChEMBL	CHEMBL1269764
IUPHAR	N/A
BindingDB	50328955
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
Ki	1285.0 nM	PMID20845959	BindingDB,ChEMBL

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