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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS000520139
Molecular formula	C22H26BrNO5
IUPAC name	cyclooctyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Molecular weight	464.356
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.7
Synonyms	4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclooctyl ester cid_9550901 MLS002586600 AKOS001499229 cyclooctyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate ST50642125 MCULE-4145964946 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclooctyl ester cyclooctyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate MolPort-000-915-239 AKOS022035061 cyclooctyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate STK406345 CHEMBL1549706 cyclooctyl 4-(6-bromo(2H-benzo[d]1,3-dioxolan-5-yl))-2-methyl-6-oxo-1,4,5-trih ydropyridine-3-carboxylate SMR000130552 BDBM79527 HMS2380H13 [ Show all ]
Inchi Key	CZVHUYZQVDZEOU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26BrNO5/c1-13-21(22(26)29-14-7-5-3-2-4-6-8-14)16(10-20(25)24-13)15-9-18-19(11-17(15)23)28-12-27-18/h9,11,14,16H,2-8,10,12H2,1H3,(H,24,25)
PubChem CID	9550901
ChEMBL	CHEMBL1549706
IUPHAR	N/A
BindingDB	79527
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
54708	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
54707	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418

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