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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	CHEMBL1599381
Molecular formula	C22H21N3O6S2
IUPAC name	[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
Molecular weight	487.545
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	2.4
Synonyms	MolPort-003-127-767 BDBM50393928 F2510-0296 AB00568339-02 MLS-0228680.0001 SMR000237592 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(pyrrolidin-1-ylsulfonyl)benzoate HMS2520F05 AKOS024654902 MLS000724757 ZINC8860149 877637-69-9 MCULE-2931109202 [ Show all ]
Inchi Key	DIOKBNUIXMQYGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21N3O6S2/c1-15-8-9-23-22(24-15)32-14-17-12-19(26)20(13-30-17)31-21(27)16-4-6-18(7-5-16)33(28,29)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11,14H2,1H3
PubChem CID	12005825
ChEMBL	CHEMBL1599381
IUPHAR	N/A
BindingDB	50393928
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
60927	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
60926	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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