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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	MLS-0413763.0001
Molecular formula	C23H30N2O7S
IUPAC name	3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-(2-methylpropoxy)benzamide
Molecular weight	478.56
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.8
Synonyms	3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-(2-methylpropoxy)benzamide CHEMBL1722769 ZINC9586706 MCULE-3747312715 BDBM68303 MolPort-004-467-824 3-methoxy-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide cid_16250706 AB00739410-01 3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-4-(2-methylpropoxy)benzamide SMR001250679 4-isobutoxy-3-methoxy-N-(2-methoxy-5-morpholinosulfonyl-phenyl)benzamide HMS3058A09 AKOS001100870 MLS002170362 [ Show all ]
Inchi Key	CFTMQROCQNRZNW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30N2O7S/c1-16(2)15-32-21-7-5-17(13-22(21)30-4)23(26)24-19-14-18(6-8-20(19)29-3)33(27,28)25-9-11-31-12-10-25/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,24,26)
PubChem CID	16250706
ChEMBL	CHEMBL1722769
IUPHAR	N/A
BindingDB	68303
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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