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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	CHEMBL255856
Molecular formula	C30H37N5O
IUPAC name	(2,4-dimethylpyridin-3-yl)-[4-methyl-4-[4-(N-pyridin-3-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight	483.66
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.7
Synonyms	BDBM50234728 SCHEMBL4390695 (2,4-dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
Inchi Key	HTTJCVMWSJWZID-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H37N5O/c1-23-11-17-32-24(2)28(23)29(36)33-20-14-30(3,15-21-33)34-18-12-26(13-19-34)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16-17,22,26H,12-15,18-21H2,1-3H3
PubChem CID	10413034
ChEMBL	CHEMBL255856
IUPHAR	N/A
BindingDB	50234728
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
123900	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
123901	C-C chemokine receptor type 5	P61814	CCR5	Macaca fascicularis (Crab-eating macaque)	352

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