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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	CHEMBL418120
Molecular formula	C33H39N5O2
IUPAC name	2-[(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	Benzonitrile, 2-[[[1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl]phenylamino]methyl]- 2-[(N-[1-[1-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-carbonyl)-4-methyl-4-piperidyl]-4-piperidyl]anilino)methyl]benzonitrile AC1MHP8I 2-[(N-[1-[1-(2,4-dimethyl-1-oxidopyridin-1-ium-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]anilino)methyl]benzonitrile BDBM50143739 2-({[1''-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4''-methyl-[1,4'']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile [ Show all ]
Inchi Key	AZJZWAKIHZVOES-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H39N5O2/c1-25-13-20-38(40)26(2)31(25)32(39)35-21-16-33(3,17-22-35)36-18-14-30(15-19-36)37(29-11-5-4-6-12-29)24-28-10-8-7-9-27(28)23-34/h4-13,20,30H,14-19,21-22,24H2,1-3H3
PubChem CID	3008903
ChEMBL	CHEMBL418120
IUPHAR	N/A
BindingDB	50143739
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
18254	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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