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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	CHEMBL200680
Molecular formula	C27H27FN4O2
IUPAC name	N-[6-[(E)-3-[3-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-oxoprop-1-enyl]quinolin-7-yl]acetamide
Molecular weight	458.537
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM50174718 N-(6-(3-(3-(4-fluorobenzyl)-3,8-diaza-bicyclo[3.2.1]octan-8-yl)-3-oxoprop-1-enyl)quinolin-7-yl)acetamide
Inchi Key	AHYXGZDCECWMIM-IZZDOVSWSA-N
Inchi ID	InChI=1S/C27H27FN4O2/c1-18(33)30-26-14-25-20(3-2-12-29-25)13-21(26)6-11-27(34)32-23-9-10-24(32)17-31(16-23)15-19-4-7-22(28)8-5-19/h2-8,11-14,23-24H,9-10,15-17H2,1H3,(H,30,33)/b11-6+
PubChem CID	44405212
ChEMBL	CHEMBL200680
IUPHAR	N/A
BindingDB	50174718
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
6001	C-C chemokine receptor type 1	P51675	Ccr1	Mus musculus (Mouse)	355
6002	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355

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