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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	Rattus norvegicus (Rat)
Gene	Cnr1
Synonym	SKR6R Neuronal cannabinoid receptor Central cannabinoid receptor CB1R CB1 receptor CB1 CB-R Cann7 Cann6 Brain-type cannabinoid receptor THC receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	473
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P20272
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3571
IUPHAR	56
DrugBank	N/A

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	C20:4 anandamide (AEA), 5Z,8Z,11Z,14Z-eicosatetraenoylethanolamide, neat oil E7Y 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 CHEBI:2700 HMS1791M15 LMFA08040001 N-(2-hydroxyethyl)arachidonamide NCGC00161195-04 1616AH UNII-UR5G69TJKH 74004-EP2277861A1 Arachidonoyl ethanolamide BML2-B09 BSPBio_001533 CS-0002859 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) C22H37NO2 GTPL2364 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 HMS1989M15 LS-63781 N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine NCGC00161195-05 UR5G69TJKH 74004-EP2308869A1 Anandamide (20.4, n-6) Arachidonoyl-EA BN0078 C11695 D0A9PS 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 CCG-208077 HMS1361M15 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 BRD-K42352790-001-03-8 CHEMBL15848 HMS3402M15 MFCD00153766 N-(5Z,8Z,11Z,14Z-icosatetraenoyl)-ethanolamide NCGC00161195-06 ZINC3809850 94421-68-8 anandamide (20.4,n-6) arachidonoylethanolamide [ 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
Affinity	19.0 %	PMID12781177	ChEMBL
EC50	15848.9 nM	PMID15149681, PMID16420041	ChEMBL
EC50	15849.0 nM	PMID15149681	BindingDB
Emax	380.0 %	PMID15149681, PMID16420041	ChEMBL
IC50	40.0 nM	PMID12951114	BindingDB,ChEMBL
Ki	22.0 nM	PMID9784095	BindingDB,ChEMBL
Ki	39.0 nM	PMID9057852	BindingDB
Ki	39.2 nM	PMID9057852	ChEMBL
Ki	61.0 nM	PMID9876105	BindingDB,ChEMBL
Ki	72.0 nM	PMID16078824	BindingDB,ChEMBL
Ki	78.0 nM	PMID10072686, PMID8893848	BindingDB,ChEMBL
Ki	89.0 nM	PMID26890113, PMID11408610, PMID10354405	BindingDB,ChEMBL
Ki	90.0 nM	PMID12781177, PMID12166944	BindingDB,ChEMBL
Ki	132.0 nM	PMID19762126	BindingDB,ChEMBL
Ki	285.0 nM	PMID11741470	BindingDB,ChEMBL
Ki	400.0 nM	PMID14575438	BindingDB,ChEMBL
Ki	800.0 nM	PMID11229744	BindingDB,ChEMBL
Ki	5400.0 nM	PMID10354405	BindingDB,ChEMBL
Ki	5810.0 nM	PMID9876105	BindingDB,ChEMBL

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