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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	1-(1-Pentyl-1H-indol-3-yl)-2-phenylethanone
Molecular formula	C21H23NO
IUPAC name	1-(1-pentylindol-3-yl)-2-phenylethanone
Molecular weight	305.421
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	5.0
Synonyms	AJ-83459 DTXSID20235554 AX8250724 KB-212442 CHEMBL365878 UNII-LQX1W3537N AKOS016000818 JWH 167 1-pentyl-3-phenylacetylindole BDBM50170338 LQX1W3537N 864445-37-4 D05EWD ZINC28460304 1-(1-Pentyl-1H-indol-3-yl)-2-phenyl-ethanone AMCPOEOUXQWESI-UHFFFAOYSA-N JWH-167 3543AC SCHEMBL20552905 [ Show all ]
Inchi Key	AMCPOEOUXQWESI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23NO/c1-2-3-9-14-22-16-19(18-12-7-8-13-20(18)22)21(23)15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3
PubChem CID	44397502
ChEMBL	CHEMBL365878
IUPHAR	N/A
BindingDB	50170338
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	90.0 nM	PMID16005223	BindingDB,ChEMBL
Ki	90.16 nM	PMID19249138	BindingDB,ChEMBL

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