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GLASS

You can:

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	Taricha granulosa (Roughskin newt)
Gene	CNR1
Synonym	CB-R CB1
Disease	N/A for non-human GPCRs
Length	473
Amino acid sequence	MKSILDGLADTTFRTITTDLLYMGSNDVQYEDTKGEMASKLGYFPQKLPLSSFRRDHSPDKMTIGDDNLLSFYPLDQFNVTEFFNRSVSTFKENDDNLKCGENFMDMECFMILTASQQLIIAVLSLTLGTFTVLENFLVLCVILQSRTLRCRPSYHFIGSLAVADLLGSVIFVYSFLDFHVFHRKDSSNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRTKAVIAFCVMWTIAIIIAVLPLLGWNCKKLKSVCSDIFPLIDENYLMFWIGVTSILLLFIVYAYVYILWKAHSHAVRMLQRGTQKSIIIHTSEDGKVQITRPEQTRMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNNPIKTVFAFCSMLCLMDSTVNPIIYALRSQDLRHAFLEQCPPCEGTSQPLDNSMESDCQHRHGNNAGNVHRAAENCIKSTVKIAKVTMSVSTETSGEAV
UniProt	Q9PUI7
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	N/A
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
Molecular formula	C24H40O3
IUPAC name	2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
Molecular weight	376.581
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	6.1
Synonyms	2-((1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol CCG-208722 UNII-8YX8JK1BQG component YNZFFALZMRAPHQ-VCOUNFBDSA-N 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol CP-55,940 002D044 AC1NSJWZ MFCD00673965 2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol ZINC2559938 CP-56667 1421AH BDBM21244 SCHEMBL20531413 CHEMBL2062131 [3H]-56 (+)-CP-55940 83002-04-4 CP-56667 [(+)-AC],XV [ Show all ]
Inchi Key	YNZFFALZMRAPHQ-VCOUNFBDSA-N
Inchi ID	InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
PubChem CID	5311056
ChEMBL	CHEMBL2062131
IUPHAR	N/A
BindingDB	21244
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	3.8 nM	PMID10854287	BindingDB

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