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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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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	JTE 907
Molecular formula	C24H26N2O6
IUPAC name	N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
Molecular weight	438.48
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.4
Synonyms	7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydro-quinoline-3-carboxylic acid (benzo[1,3]dioxol-5-yl-methyl)-amide JTE-907 N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-hydroxy-7-methoxy-8-(pentyloxy)quinoline-3-carboxamide SCHEMBL3684662 AKOS027288988 DAV3Q7SNOL LS-193232 N-(Benzo[d][1,3]dioxol-5-ylmethyl)-7-Methoxy-2-oxo-8-(pentyloxy)-1,2-dihydroquinolin-3-carboxamide ZINC1548888 282089-49-0 BRD-K63150726-001-01-3 J-017001 N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-7-methoxy-8-(pentyloxy)quinoline-3-carboxamide PDSP1_000770 CHEMBL178372 JTE907 N-(benzo[d][1,3]dioxol-5-ylmethyl)-7-methoxy-2-oxo-8-(pentyl UNII-DAV3Q7SNOL B7073 GRAJFFFXJYFVOC-UHFFFAOYSA-N MolPort-023-276-450 N-(BENZO[D][1,3]DIOXOL-5-YLMETHYL)-7-METHOXY-2-OXO-8-(PENTYLOXY)-1,2-DIHYDROQUINOLINE-3-CARBOXAMIDE 3-Quinolinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydro-7-methoxy-2-oxo-8-(pentyloxy)- CHEBI:93098 N-(1,3-Benzodioxole-5-ylmethyl)-2-oxo-7-methoxy-8-pentoxy-1,2-dihydro-3-quinolinecarboxamide PDSP2_000758 AKOS024457125 CTK8E7882 KB-56105 N-(Benzo[d][1,3]dioxol-5-ylmethyl)-7-Methoxy-2-oxo-8-(pentyloxy)-1,2-dihydro-quinolin-3-carboxamide Z1716 BDBM85739 HMS3269I13 N-(1,3-BENZODIOXOL-5-YLMETHYL)-1,2-DIHYDRO-7-METHOXY-2-OXO-8-(PENTYLOXY)-3-QUINOLINECARBOXAMIDE NCGC00159582-01 [ Show all ]
Inchi Key	GRAJFFFXJYFVOC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
PubChem CID	9867770
ChEMBL	CHEMBL178372
IUPHAR	N/A
BindingDB	85739
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1060.0 nM	PMID11160626	BindingDB

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