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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	MLS000438552
Molecular formula	C21H21F3N2O2
IUPAC name	(4R,5S,6R)-5-acetyl-1-benzyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
Molecular weight	390.406
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.4
Synonyms	SMR000452907 (4R,5S,6R)-5-acetyl-1-benzyl-6-methyl-4-[3-(trifluoromethyl)phenyl]hexahydropyrimidin-2-one CMLD004126 BDBM75112 NCGC00162489-01 CHEMBL1369646 (4R,5S,6R)-5-acetyl-6-methyl-1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one HMS2220A13 CCG-260092 NCGC00162489-02 (4R,5S,6R)-5-acetyl-1-benzyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one cid_16745554 (4R,5S,6R)-5-ethanoyl-6-methyl-1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one [ Show all ]
Inchi Key	AHCWZEKNBFRKFE-VMDGZTHMSA-N
Inchi ID	InChI=1S/C21H21F3N2O2/c1-13-18(14(2)27)19(16-9-6-10-17(11-16)21(22,23)24)25-20(28)26(13)12-15-7-4-3-5-8-15/h3-11,13,18-19H,12H2,1-2H3,(H,25,28)/t13-,18+,19+/m1/s1
PubChem CID	16745554
ChEMBL	CHEMBL1369646
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
463541	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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