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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	CHEMBL556314
Molecular formula	C31H38N4O2
IUPAC name	(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight	498.671
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.8
Synonyms	(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone AC1MHPAN (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-methanone BDBM50143750 (2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-phenylanilino)-1-piperidyl]-1-piperidyl]methanone [1,4'-Bipiperidin]-4-amine, 1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl-N,N-diphenyl- [ Show all ]
Inchi Key	KFDHCUNXEPNTLZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3
PubChem CID	3008929
ChEMBL	CHEMBL556314
IUPHAR	N/A
BindingDB	50143750
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
167623	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
167624	C-C chemokine receptor type 5	P61814	CCR5	Macaca fascicularis (Crab-eating macaque)	352

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