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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	AC1LEVMS
Molecular formula	C17H13NO2
IUPAC name	isoquinolin-1-yl-(4-methoxyphenyl)methanone
Molecular weight	263.296
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.7
Synonyms	isoquinolyl 4-methoxyphenyl ketone SR-01000746439 MolPort-000-422-269 STL488047 1-(4-Methoxybenzoyl)isoquinoline HMS1426H05 isoquinolin-1-yl(4-methoxyphenyl)methanone SCHEMBL1445542 AEHSAUPWRMSRNX-UHFFFAOYSA-N MCULE-3159782761 SR-01000746439-2 CHEMBL549291 Oprea1_799084 ZINC64907 1-Isoquinolyl(4-methoxyphenyl)ketone HMS2708N15 isoquinolin-1-yl-(4-methoxyphenyl)methanone SMR000372949 AKOS000808019 MLS000516298 ST50037065 EU-0047376 IFLab1_005087 Oprea1_800642 [ Show all ]
Inchi Key	AEHSAUPWRMSRNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H13NO2/c1-20-14-8-6-13(7-9-14)17(19)16-15-5-3-2-4-12(15)10-11-18-16/h2-11H,1H3
PubChem CID	693112
ChEMBL	CHEMBL549291
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	85.0 %	PMID19477133	ChEMBL

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