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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	NIBR-1282
Molecular formula	C30H37N5O2
IUPAC name	(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-pyridin-3-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight	499.659
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	CHEMBL255858 470689-87-3 GT-1282 CCR5 antagonists, Novartis SCHEMBL619811 D0BD6A (2,4-dimethyl-1-oxy-pyridin-3-yl)-[4''-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4'']bipiperidinyl-1''-yl]-methanone D0J4CD BDBM50234723 SB16769 [ Show all ]
Inchi Key	DDVVRHNNOPQPGB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3
PubChem CID	10278617
ChEMBL	CHEMBL255858
IUPHAR	N/A
BindingDB	50234723
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
57512	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
57513	C-C chemokine receptor type 5	P61814	CCR5	Macaca fascicularis (Crab-eating macaque)	352

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