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GPCR

Name	Cannabinoid receptor 1
Species	Homo sapiens (Human)
Gene	CNR1
Synonym	CB1 Central cannabinoid receptor SKR6R THC receptor CB1R CANN6 CB1 receptor Neuronal cannabinoid receptor Cann7 CB-R [ Show all ]
Disease	Obesity; Diabetes Chemotherapy-induced nausea Diabetes; Obesity Drug abuse Hypertension; Diabetes; Obesity Insomnia Ischemia Lipid metabolism disorder Metabolic disorders Obesity Type 2 diabetes Schizophrenia Psychotic disorders Postherpetic neuralgia Ovarian cancer Obesity; Metabolic disorders Nicotine dependence; Obesity Neuropathic pain Cerebrovascular ischaemia Central nervous system disease Pain Anorexia Endocrine disease [ Show all ]
Length	472
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P21554
Protein Data Bank	5tjv, 5u09, 5xr8, 5xra, 6n4b, 5tgz
GPCR-HGmod model	P21554
3D structure model	This structure is from PDB ID 5tjv.
BioLiP	BL0384680, BL0364157, BL0384679, BL0384681, BL0384682, BL0384683, BL0384684, BL0440253, BL0440254,BL0440255, BL0363267, BL0361447, BL0361446
Therapeutic Target Database	T76685
ChEMBL	CHEMBL218
IUPHAR	56
DrugBank	BE0000061

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	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 3556-78-3 BDBM50121429 Cannabidiol solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis cannabidiolum QHMBSVQNZZTUGM-ZWKOTPCHSA-N ZYN002 (-)-CBD 1,3-Benzenediol,2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl- 2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol (Cannabidiol) 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 2-[3-Methyl-6-(methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol AC1LD8G2 Cannabidiol solution 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 # BDBM50318484 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 2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol Cannabidiol (7CI) 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 20547-66-4 AKOS032948358 Cannabidiol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 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-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol 4CN-1161 C07578 CHEBI:69478 Delta(1(2))-trans-cannabidiol Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)- (-)-trans-Cannabidiol 18436-46-9 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) [ 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	50121429, 50318484
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	2400.0 nM	PMID20218623	BindingDB,ChEMBL
Ki	4350.0 nM	PMID23865723	BindingDB,ChEMBL
Log Ki	3.64 nM	PMID10882356	ChEMBL

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