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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	AC1MPSGE
Molecular formula	C25H26N4O
IUPAC name	2-(3,4-dimethylphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
Molecular weight	398.51
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.4
Synonyms	2-(3,4-dimethylphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide NCGC00101041-01 ZINC3634541 MCULE-5034498597 ST50937838 CHEMBL1516105 [2-(3,4-dimethylphenyl)(4-quinolyl)]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]c arboxamide 2-(3,4-dimethylphenyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]quinoline-4-carboxamide MolPort-001-535-122 AKOS003283818 STK458503 HMS1803A10 [ Show all ]
Inchi Key	AHTLNDTXVQQJKD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26N4O/c1-5-29-15-20(18(4)28-29)14-26-25(30)22-13-24(19-11-10-16(2)17(3)12-19)27-23-9-7-6-8-21(22)23/h6-13,15H,5,14H2,1-4H3,(H,26,30)
PubChem CID	3415782
ChEMBL	CHEMBL1516105
IUPHAR	N/A
BindingDB	N/A
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
463594	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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