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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	N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-methylbenzamide
Molecular formula	C19H23N3O3S2
IUPAC name	N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-methylbenzamide
Molecular weight	405.531
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.8
Synonyms	AC1LKBHM MCULE-2666695268 ZINC677165 ARONIS005911 N-[({4-[(tert-butylamino)sulfonyl]phenyl}amino)carbonothioyl]-4-methylbenzamide CHEMBL3747743 STK126531 AKOS000495178 MolPort-001-572-341 BB0282948 KS-00003YC8 ZINC00677165 AN-329/42173999 N-(tert-butyl)-4-({[(4-methylbenzoyl)amino]carbothioyl}amino)benzenesulfonamide N-{[4-(tert-butylsulfamoyl)phenyl]carbamothioyl}-4-methylbenzamide [ Show all ]
Inchi Key	ASWMCAIPTDHYOI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23N3O3S2/c1-13-5-7-14(8-6-13)17(23)21-18(26)20-15-9-11-16(12-10-15)27(24,25)22-19(2,3)4/h5-12,22H,1-4H3,(H2,20,21,23,26)
PubChem CID	1015574
ChEMBL	CHEMBL3747743
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	96.0 %	PMID26575458	ChEMBL
Activity	100.0 %	PMID26575458	ChEMBL

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