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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	CHEMBL3889602
Molecular formula	C30H30Cl3N3O
IUPAC name	N-(1-adamantylmethyl)-12-chloro-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
Molecular weight	554.94
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	8.8
Synonyms	BDBM50193278 SCHEMBL2912675
Inchi Key	JCRLUGHPQYNAQX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H30Cl3N3O/c31-21-4-6-23-20(11-21)2-1-3-24-27(35-36(28(23)24)26-7-5-22(32)12-25(26)33)29(37)34-16-30-13-17-8-18(14-30)10-19(9-17)15-30/h4-7,11-12,17-19H,1-3,8-10,13-16H2,(H,34,37)
PubChem CID	59450186
ChEMBL	CHEMBL3889602
IUPHAR	N/A
BindingDB	50193278
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	108.0 %	PMID27240274	ChEMBL
Intrinsic activity	98.0 %	PMID27240274	ChEMBL
Ki	19.0 nM	PMID27240274	BindingDB
Ki	19.1 nM	PMID27240274	ChEMBL

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