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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	MLS000114342
Molecular formula	C18H18ClNO3
IUPAC name	5-chloro-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Molecular weight	331.796
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.2
Synonyms	cid_2930337 AKOS000590665 5-chloro-2-(3,4-dihydro-1H-2-benzopyran-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione BDBM42484 REGID_for_CID_2930337 5-Chloro-2-isochroman-3-ylmethyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione HMS2265J09 AKOS030485408 MolPort-001-998-481 5-chloro-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Cambridge id 7207082 CHEMBL1468490 SMR000091747 AC1MG4LD MCULE-8767302281 5-chloranyl-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione BAS 04880002 CCG-22137 regid7967718 5-chloro-2-(isochroman-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone [ Show all ]
Inchi Key	AWCKGOAGXDNJHN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClNO3/c19-13-5-6-15-16(8-13)18(22)20(17(15)21)9-14-7-11-3-1-2-4-12(11)10-23-14/h1-5,14-16H,6-10H2
PubChem CID	2930337
ChEMBL	CHEMBL1468490
IUPHAR	N/A
BindingDB	42484
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
15876	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384
15875	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
15874	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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