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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	Nantradol
Molecular formula	C27H35NO4
IUPAC name	[9-hydroxy-6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate
Molecular weight	437.58
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.5
Synonyms	( -)-5,6,6abeta,7,8,9alpha,10,10aalpha-Octahydro-9beta-hydroxy-6beta-methyl-3-(1-methyl-4-phenylbutoxy)-1-phenanthridinyl acetat AC1L32T9 Nantrodolum 1,9-Phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-6-methyl-3-(1-methyl-4-phenylbutoxy)-, 1-acetate CAS_107822 SCHEMBL488911 72028-54-7 LS-176939 (+-)-1-acetoxy-5,6,6a,7,8,9,10,10a-octahydro-9-hydroxy-6-beta-methyl-3-(5'-phenyl-2'-pentyloxy)phenanthridine hydrochloride AC1Q623W NSC_107822 1,9-phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-6-methyl-3-(1-methyl-4-phenylbutoxy)-, 1-acetate, (6 alpha,6a alpha,9 alpha,10a beta)-(+-)- CAS_71048-87-8 [9-hydroxy-6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate (+-)-5,6,6abeta,7,8,9alpha,10,10aalpha-Octahydro-9beta-hydroxy-6beta-methyl-3-(1-methyl-4-phenylbutoxy)-1-phenanthridinyl acetat BDBM84888 NSC_51016 6-Methyl-3-(1-methyl-4-phenylbutoxy)-5,6,6a,7,8,9,10,10a-octahydro-1,9-phenanthridinediol acetate d-Nantradol [ Show all ]
Inchi Key	FFVXQGMUHIJQAO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3
PubChem CID	107822
ChEMBL	N/A
IUPHAR	N/A
BindingDB	84888
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	13.0 nM	PMID10854287	BindingDB

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