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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL2057795
Molecular formula	C19H22N4S
IUPAC name	4-(4-ethylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
Molecular weight	338.473
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.3
Synonyms	ZINC5555313 AC1LGX26 BDBM50387877 1-ethyl-4-{2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl}piperazine MCULE-3299645624 4-(4-ethylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine AC1Q316L 2-Methyl-4-(4-ethyl-1-piperazinyl)-6-phenylthieno[2,3-d]pyrimidine Oprea1_464367 AKOS002710069 4-(4-ethyl-1-piperazinyl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine [ Show all ]
Inchi Key	CWQYMWNABHHDQG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3
PubChem CID	853261
ChEMBL	CHEMBL2057795
IUPHAR	N/A
BindingDB	50387877
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	24.8 nM	PMID22765893	BindingDB,ChEMBL
Efficacy	84.5 %	PMID22765893	ChEMBL
Ki	82.0 nM	PMID22765893	BindingDB,ChEMBL

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