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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.
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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	UNII-7W96Y4OF1O
Molecular formula	C23H38O2
IUPAC name	2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methyldecan-2-yl)phenol
Molecular weight	346.555
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	8.2
Synonyms	132296-12-9 CP 47,497-C9-homolog 70435-08-4 Phenol, 5-(1,1-dimethylnonyl)-2-((1S,3R)-3-hydroxycyclohexyl)- (C9)-Cp 47,497 BDBM84904 2-((1S,3R)-3-Hydroxycyclohexyl)-5-(1,1-dimethylnonyl)phenol CP-47497, (C9) 7W96Y4OF1O Phenol, 5-(1,1-dimethylnonyl)-2-(3-hydroxycyclohexyl)-, (1S-cis)- (C9)-CP-47497 Bicyclic analogs VIII ZINC78274741 3beta-[4-(1,1-Dimethylnonyl)-2-hydroxyphenyl]cyclohexane-1beta-ol PDSP2_000190 (1r,3s)-3-[2-hydroxy-4-(1,1-dimethylnonyl)-phenyl]-cyclohexan-1-ol SCHEMBL11162188 [ Show all ]
Inchi Key	BIGNODGYJZJTBM-AZUAARDMSA-N
Inchi ID	InChI=1S/C23H38O2/c1-4-5-6-7-8-9-15-23(2,3)19-13-14-21(22(25)17-19)18-11-10-12-20(24)16-18/h13-14,17-18,20,24-25H,4-12,15-16H2,1-3H3/t18-,20+/m0/s1
PubChem CID	23902365
ChEMBL	N/A
IUPHAR	N/A
BindingDB	84904
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	28.5 nM	PMID8474008	BindingDB

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