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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	CHEMBL59511
Molecular formula	C33H39N5O2
IUPAC name	3-[(N-[1-[1-(2,4-dimethyl-1-oxidopyridin-1-ium-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]anilino)methyl]benzonitrile
Molecular weight	537.708
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.4
Synonyms	3-[(N-[1-[1-(2,4-dimethyl-1-oxidopyridin-1-ium-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]anilino)methyl]benzonitrile BDBM50143734 3-({[1''-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4''-methyl-[1,4'']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile Benzonitrile, 3-[[[1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl]phenylamino]methyl]- 3-[(N-[1-[1-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-carbonyl)-4-methyl-4-piperidyl]-4-piperidyl]anilino)methyl]benzonitrile AC1MHP8L [ Show all ]
Inchi Key	UALHUWYCEAVLAG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3
PubChem CID	3008904
ChEMBL	CHEMBL59511
IUPHAR	N/A
BindingDB	50143734
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
331982	C-C chemokine receptor type 5	P61814	CCR5	Macaca fascicularis (Crab-eating macaque)	352
331983	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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