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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	MLS000830367
Molecular formula	C24H28FN3O2
IUPAC name	methyl (6S)-3-benzyl-6-(3-fluorophenyl)-4-methyl-2-(2-methylpropylimino)-1,6-dihydropyrimidine-5-carboxylate
Molecular weight	409.505
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.2
Synonyms	CHEMBL1374155 (4S)-1-benzyl-4-(3-fluorophenyl)-2-(isobutylamino)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester methyl (4S)-1-benzyl-4-(3-fluorophenyl)-6-methyl-2-(2-methylpropylamino)-4H-pyrimidine-5-carboxylate BDBM67386 NCGC00181471-01 cid_24871370 (4S)-4-(3-fluorophenyl)-6-methyl-2-(2-methylpropylamino)-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester methyl (4S)-4-(3-fluorophenyl)-6-methyl-2-(2-methylpropylamino)-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate SMR000672067 HMS2218B19 [ Show all ]
Inchi Key	BXTITEMPRRRNBG-QFIPXVFZSA-N
Inchi ID	InChI=1S/C24H28FN3O2/c1-16(2)14-26-24-27-22(19-11-8-12-20(25)13-19)21(23(29)30-4)17(3)28(24)15-18-9-6-5-7-10-18/h5-13,16,22H,14-15H2,1-4H3,(H,26,27)/t22-/m0/s1
PubChem CID	135871461
ChEMBL	CHEMBL1374155
IUPHAR	N/A
BindingDB	67386
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
35431	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
35430	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
35429	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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