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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	MLS000540783
Molecular formula	C28H24N4O4S
IUPAC name	2-(2,4-dimethylphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide
Molecular weight	512.584
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.1
Synonyms	AC1LK3XH MLS-0101594.0001 ZINC671945 2-(2,4-dimethylphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-4-quinolinecarboxamide MolPort-001-545-854 2-(2,4-dimethylphenyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}quinoline-4-carboxamide HMS2303D07 ST50926018 2-(2,4-dimethylphenyl)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-4-quinolinecarboxamide AKOS003274600 MLS-0101594.0002 [2-(2,4-dimethylphenyl)(4-quinolyl)]-N-(4-{[(5-methylisoxazol-3-yl)amino]sulfo nyl}phenyl)carboxamide 2-(2,4-dimethylphenyl)-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]cinchoninamide CHEMBL1586706 Oprea1_330379 MCULE-3600885538 STK332899 2-(2,4-dimethylphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide BDBM45519 2-(2,4-dimethylphenyl)-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide cid_1011349 SMR000162174 [ Show all ]
Inchi Key	COFXHMAGNCARMW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H24N4O4S/c1-17-8-13-22(18(2)14-17)26-16-24(23-6-4-5-7-25(23)30-26)28(33)29-20-9-11-21(12-10-20)37(34,35)32-27-15-19(3)36-31-27/h4-16H,1-3H3,(H,29,33)(H,31,32)
PubChem CID	1011349
ChEMBL	CHEMBL1586706
IUPHAR	N/A
BindingDB	45519
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
EC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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