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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	CHEMBL2178571
Molecular formula	C36H48N4O3
IUPAC name	2-[3-(aminomethyl)piperidine-1-carbonyl]-N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-9H-xanthene-9-carboxamide
Molecular weight	584.805
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.5
Synonyms	BDBM50398345 SCHEMBL18776058
Inchi Key	AAPRNHKWNGDTOT-NSKAYECMSA-N
Inchi ID	InChI=1S/C36H48N4O3/c37-23-27-12-9-19-40(25-27)36(42)28-15-16-33-31(22-28)34(30-13-7-8-14-32(30)43-33)35(41)38-29-17-20-39(21-18-29)24-26-10-5-3-1-2-4-6-11-26/h7-8,10,13-16,22,27,29,34H,1-6,9,11-12,17-21,23-25,37H2,(H,38,41)/b26-10+
PubChem CID	10371087
ChEMBL	CHEMBL2178571
IUPHAR	N/A
BindingDB	50398345
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.

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
426	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355

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