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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	MLS000766439
Molecular formula	C31H34N2O4
IUPAC name	(4-benzylpiperazin-1-yl)-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]methanone
Molecular weight	498.623
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.2
Synonyms	CHEMBL1312994 SMR000389636 BRD-K71823644-001-01-4 HMS2223M22 (4-benzylpiperazin-1-yl)((2R,4R)-2-(4-(hydroxymethyl)benzyloxy)-4-phenyl-3,4-dihydro-2H-pyran-6-yl)methanone
Inchi Key	ADYZRQHNPQJLDQ-MFMCTBQISA-N
Inchi ID	InChI=1S/C31H34N2O4/c34-22-25-11-13-26(14-12-25)23-36-30-20-28(27-9-5-2-6-10-27)19-29(37-30)31(35)33-17-15-32(16-18-33)21-24-7-3-1-4-8-24/h1-14,19,28,30,34H,15-18,20-23H2/t28-,30+/m0/s1
PubChem CID	16195729
ChEMBL	CHEMBL1312994
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
3247	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
3248	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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