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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	MLS000094938
Molecular formula	C20H22N4O4S
IUPAC name	methyl 2-[[2-[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methylpentanoate
Molecular weight	414.48
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.8
Synonyms	2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester cid_3239149 MLS000878770 SMR000030492 AKOS022001415 methyl 2-[2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate STK082544 methyl N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)thio]acetyl}leucinate AC1MMI6Z HMS2368C16 MolPort-002-797-277 SR-01000082668 BDBM44648 methyl 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methylpentanoate 2-[[2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester CHEMBL1457936 AKOS001676181 MCULE-5907803859 NCGC00052273-02 SR-01000082668-1 CHEBI:116106 methyl N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}leucinate [ Show all ]
Inchi Key	AKPKVAZBSUXKSJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N4O4S/c1-12(2)9-15(19(27)28-3)22-16(25)11-29-20-23-17(13-7-5-4-6-8-13)14(10-21)18(26)24-20/h4-8,12,15H,9,11H2,1-3H3,(H,22,25)(H,23,24,26)
PubChem CID	135520065
ChEMBL	CHEMBL1457936
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
7773	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757

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