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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 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	Anandamide
Molecular formula	C22H37NO2
IUPAC name	(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
Molecular weight	347.543
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	5.4
Synonyms	IDI1_034003 N-(2-Hydroxyethyl)-5,8,11,14-eicosatetraenamide (all-Z)- N-arachidonoylaminoethan-2-ol (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-5,8,11,14-eicosatetraenamide SMP2_000328 5,8,11,14-Eicosatetraenamide, N-(2-hydroxyethyl)-, (all-Z)- AEA Anandamide(20:4, n-6) Arachidonylethanolamide C20:4 anandamide (AEA), 5Z,8Z,11Z,14Z-eicosatetraenoylethanolamide, neat oil E7Y LMFA08040001 N-(2-hydroxyethyl)arachidonamide NCGC00161195-04 1616AH UNII-UR5G69TJKH 74004-EP2277861A1 Arachidonoyl ethanolamide BML2-B09 CHEBI:2700 HMS1791M15 HMS3649B09 MolPort-003-940-012 N-arachidonoyl ethanolamine NCGC00161195-07 5,8,11,14-eicosatetraenamide, N-(2-hydroxyethyl)- [14C]Anandamide AB1009196 Anandamide (20:4, n-6) Arachidonoylethanolamide (AEA) BSPBio_001533 CS-0002859 L000111 N-(2-Hydroxyethyl)-5Z,8Z,11Z,14Z-eicosatetraenamide N-Arachidonoylethanolamine (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide SR-01000946635 5,8,11,14-Eicosatetraenoylethanolamide AEA; Anandamide; Arachidonic acid N-(hydroxyethyl)amide AnNH Arachidonylethanolamide, >=97.0% (TLC), oil C22H37NO2 GTPL2364 LS-63781 N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine NCGC00161195-05 UR5G69TJKH 74004-EP2308869A1 Anandamide (20.4, n-6) Arachidonoyl-EA BN0078 HMS1989M15 HY-10863 N-(2-hydroxyethyl)-5,8,11,14-Eicosatetraenamide (all-Z) N-Arachidonoyl-2-hydroxyethylamide (5Z,8Z,11Z,14Z)- N-(2-Hydroxyethyl)- 5,8,11,14-eicosatetraenamide SCHEMBL43143 5,8,11,14-Eicosatetraenamide, N-(2-hydroxyethyl)-, (5Z,8Z,11Z,14Z)- [3H]Anandamide AC1NQZCS Anandamide (in Tocrisolvetrade mark 100) Arachidonyl ethanolamide C11695 D0A9PS LGEQQWMQCRIYKG-DOFZRALJSA-N N-(2-Hydroxyethyl)anachidonamide NCGC00161195-03 (all-Z)-N-(2-hydroxyethyl)-5,8,11,14-eicosatetraenamide SR-01000946635-1 74004-EP2270006A1 AKOS015951333 Arachidonic acid N-(hydroxyethyl)amide BDBM22988 CCG-208077 HMS1361M15 HMS3402M15 MFCD00153766 N-(5Z,8Z,11Z,14Z-icosatetraenoyl)-ethanolamide NCGC00161195-06 ZINC3809850 94421-68-8 anandamide (20.4,n-6) arachidonoylethanolamide BRD-K42352790-001-03-8 CHEMBL15848 [ Show all ]
Inchi Key	LGEQQWMQCRIYKG-DOFZRALJSA-N
Inchi ID	InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
PubChem CID	5281969
ChEMBL	CHEMBL15848
IUPHAR	2364
BindingDB	22988
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	11.0 nM	PMID19361197	BindingDB,ChEMBL
Ki	39.2 nM	PMID12166938	BindingDB,ChEMBL
Ki	50.0 nM	PMID16078824	BindingDB,ChEMBL
Ki	70.0 nM	PMID22044209, PMID16682198, PMID19161308, PMID16570929	BindingDB,ChEMBL
Ki	72.0 nM	PMID17561406, PMID25065940, PMID16279794, PMID19331413, PMID16213718	BindingDB,ChEMBL
Ki	89.0 nM	PMID23865723	BindingDB,ChEMBL
Ki	100.0 - 501.187 nM	PMID7565624, PMID8819477	IUPHAR
Ki	300.0 nM	PMID14613317	BindingDB,ChEMBL
Ki	1800.0 nM	PMID14613317	BindingDB,ChEMBL
Log Ki	1.95 nM	PMID10882356	ChEMBL

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