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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	802916-41-2
Molecular formula	C30H32N4O5
IUPAC name	2-(2,6-dimethoxypyridin-3-yl)-6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-N-(2-phenoxyethyl)pyridine-3-carboxamide
Molecular weight	528.609
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	4.7
Synonyms	[2,3'-Bipyridine]-3-carboxamide,6-[[(1S)-1-(hydroxymethyl)-2-phenylethyl]amino]-2',6'-dimethoxy-N-(2-phenoxyethyl)- CHEMBL515828 2-(2,6-dimethoxypyridin-3-yl)-6-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2-phenoxyethyl)pyridine-3-carboxamide ZINC35851391 BDBM28018 KB-63720 [2,3'-Bipyridine]-3-carboxaMide, 6-[[(1S)-1-(hydroxyMethyl)-2-phenylethyl]aMino]-2',6'-diMethoxy-N-(2-phenoxyethyl)- trisubstituted pyridine analogue, 18d [ Show all ]
Inchi Key	CHNHTXIKBXJBRC-QFIPXVFZSA-N
Inchi ID	InChI=1S/C30H32N4O5/c1-37-27-16-14-25(30(34-27)38-2)28-24(29(36)31-17-18-39-23-11-7-4-8-12-23)13-15-26(33-28)32-22(20-35)19-21-9-5-3-6-10-21/h3-16,22,35H,17-20H2,1-2H3,(H,31,36)(H,32,33)/t22-/m0/s1
PubChem CID	25198729
ChEMBL	CHEMBL515828
IUPHAR	N/A
BindingDB	28018
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
42147	Extracellular calcium-sensing receptor	P41180	CASR	Homo sapiens (Human)	1078

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