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GLASS

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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	Adrenoyl-EA
Molecular formula	C24H41NO2
IUPAC name	(7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
Molecular weight	375.597
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	6.4
Synonyms	1699AH BSPBio_001535 Docosa-7,10,13,16-tetraenoic acid (2-hydroxy-ethyl)-amide HMS3402M17 N-(7Z,10Z,13Z,16Z-docosatetraenoyl)-ethanolamide NCGC00161197-07 7,10,13,16-Docosatetraenylethanolamide ANANDAMIDE (22:4,n-6) CHEBI:34478 FMVHVRYFQIXOAF-DOFZRALJSA-N LMFA08040047 N-docosatetraenoylethanolamine SR-01000946675-1 (7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide AC1NQZRP BML2-C01 D0Q4DB HMS1791M17 N-(2-Hydroxyethyl)-7Z,10Z,13Z,16Z-docosatetraenamide NCGC00161197-05 7,10,13,16-Docosatetraenamide, N-(2-hydroxyethyl)-, (all-Z)- Adrenoyl-ethanolamine C13829 Docosatetra-7Z,10Z,13Z,16Z-Enoyl Ethanolamide HMS3649L17 N-(7Z,10Z,13Z,16Z-docosatetraenoyl)-ethanolamine SCHEMBL6259736 7,10,13,16-DTEA Anandamide + PMSF GTPL5445 MolPort-003-983-551 NCGC00161197-03 ZINC4654958 150314-35-5 Adrenoyl ethanolamide BRD-K30199352-001-02-9 Docosa-7,10,13,16-tetraenoate HMS1989M17 N-(2-Hydroxyethyl)7Z,10Z,13Z,16Z-docosatetraenamide NCGC00161197-06 7,10,13,16-Docosatetraenoylethanolamine AKOS024456629 C24H41NO2 Docosatetraenylethanolamide IDI1_034005 N-docosatetra-7,10,13,16-enoylethanolamine SR-01000946675 BDBM85675 CHEMBL321585 HMS1361M17 N-(2-Hydroxyethyl)-7,10,13,16-docosatetraenamide (all-Z)- NCGC00161197-04 [ Show all ]
Inchi Key	FMVHVRYFQIXOAF-DOFZRALJSA-N
Inchi ID	InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
PubChem CID	5282273
ChEMBL	CHEMBL321585
IUPHAR	N/A
BindingDB	85675
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	34.4 nM	PMID12166938	BindingDB,ChEMBL

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