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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	Mus musculus (Mouse)
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	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEDNIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P47746
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	CHEMBL3037
IUPHAR	56
DrugBank	N/A

Ligand

Name	octane-1-sulfonyl fluoride
Molecular formula	C8H17FO2S
IUPAC name	octane-1-sulfonyl fluoride
Molecular weight	196.28
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.6
Synonyms	AC1Q4OYH EINECS 255-012-0 1-Octanesulphonyl fluoride N-octanesulfonylfluoride 8G6E848M0E D04YUA SCHEMBL678663 ACM40630635 LS-97938 40630-63-5 CHEMBL499569 AC1L4QJC DTXSID3028009 UNII-8G6E848M0E 1-Octanesulfonyl fluoride BDBM50247008 n-octane-sulfonyl fluoride CTK4I3469 octanesulfonyl fluoride [ Show all ]
Inchi Key	HMRWGKIZOBXNRB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H17FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
PubChem CID	162019
ChEMBL	CHEMBL499569
IUPHAR	N/A
BindingDB	50247008
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1300.0 nM	PMID18752948	BindingDB,ChEMBL

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