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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	MLS000438302
Molecular formula	C20H24O5
IUPAC name	(3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) cyclopentanecarboxylate
Molecular weight	344.407
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.6
Synonyms	HMS2223E19 CHEMBL1558644 SMR000452562 cyclopentanecarboxylic acid (3-butyl-6,8-diketo-7-methyl-isochromen-7-yl) ester [3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] cyclopentanecarboxylate BDBM76125 cid_16745542 SR-01000763049 (3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) cyclopentanecarboxylate cyclopentanecarboxylic acid (3-butyl-7-methyl-6,8-dioxo-2-benzopyran-7-yl) ester NCGC00161513-01 CMLD003384 SR-01000763049-2 [ Show all ]
Inchi Key	DFLRUMRQZKFKRX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24O5/c1-3-4-9-15-10-14-11-17(21)20(2,18(22)16(14)12-24-15)25-19(23)13-7-5-6-8-13/h10-13H,3-9H2,1-2H3
PubChem CID	16745542
ChEMBL	CHEMBL1558644
IUPHAR	N/A
BindingDB	76125
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
58676	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
58675	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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