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GLASS

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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	cannabidiol
Molecular formula	C21H30O2
IUPAC name	2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Molecular weight	314.469
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	6.5
Synonyms	2-[3-Methyl-6-(methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol AC1LD8G2 Cannabidiol solution delta1(2)-trans-Cannabidiol Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, trans-(-)- (8CI) (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol 19GBJ60SN5 BDBM50318484 Cannabidiol solution, ~10 mg/mL in ethanol, analytical standard, for drug analysis D1(2)-trans-Cannabidiol GTPL4150 UNII-K4H93P747O component QHMBSVQNZZTUGM-ZWKOTPCHSA-N (-)-Cannabidiol 1,3-benzenediol, 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl- 2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol # 2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol Cannabidiol (7CI) CBD DB09061 Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (+-)- (-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol 13956-29-1 20547-66-4 AKOS032948358 Cannabidiol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material CHEMBL190461 Epidiolex SCHEMBL119679 (3R,4R)-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol 2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol 2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol 4CN-1161 C07578 Cannabidiol [USAN] D10915 GWP42003-P ZINC4097406 (-)-Cannabidiol 1.0 mg/ml in Methanol 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)- 2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol 521-37-9 Cannabidiol (USAN/INN) CHEBI:69478 Delta(1(2))-trans-cannabidiol Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)- (-)-trans-Cannabidiol 18436-46-9 3556-78-3 BDBM50121429 Cannabidiol solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis D0O1UZ Epidiolex (TN) UNII-19GBJ60SN5 1,3-Benzenediol, 2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)- 2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol 2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol (Cannabidiol) cannabidiolum QHMBSVQNZZTUGM-ZWKOTPCHSA-N ZYN002 (-)-CBD 1,3-Benzenediol,2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl- [ Show all ]
Inchi Key	QHMBSVQNZZTUGM-ZWKOTPCHSA-N
Inchi ID	InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
PubChem CID	644019
ChEMBL	CHEMBL190461
IUPHAR	4150
BindingDB	50318484, 50121429
DrugBank	DB09061
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	2860.0 nM	PMID23865723	BindingDB,ChEMBL
Ki	10000.0 nM	PMID20218623	BindingDB,ChEMBL
Log Ki	3.46 nM	PMID10882356	ChEMBL

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