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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	CHEMBL2205621
Molecular formula	C20H21ClN2O3S
IUPAC name	2-chloro-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
Molecular weight	404.909
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	2-chloro-N-[3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]benzamide ST50910105 MolPort-001-898-614 BAS 00486266 SR-01000494843 2-chloro-N-[3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide STK373449 AC1LQH7Q Oprea1_210635 (2-chlorophenyl)-N-[3-(morpholin-4-ylcarbonyl)(4,5,6,7-tetrahydrobenzo[b]thiop hen-2-yl)]carboxamide BDBM50402865 SR-01000494843-1 2-chloro-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide MCULE-2673197427 ZINC1188312 AKOS000514027 Oprea1_646227 [ Show all ]
Inchi Key	ATXDAVMXQDOABZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21ClN2O3S/c21-15-7-3-1-5-13(15)18(24)22-19-17(14-6-2-4-8-16(14)27-19)20(25)23-9-11-26-12-10-23/h1,3,5,7H,2,4,6,8-12H2,(H,22,24)
PubChem CID	1350471
ChEMBL	CHEMBL2205621
IUPHAR	N/A
BindingDB	50402865
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	10.0 nM	PMID23147076	BindingDB,ChEMBL
Efficacy	95.0 %	PMID23147076	ChEMBL

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