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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	CHEMBL585707
Molecular formula	C26H22BrIN4O2
IUPAC name	N-[(E)-1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylideneamino]-5-iodopyridin-2-amine
Molecular weight	629.296
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	6.6
Synonyms	N/A
Inchi Key	ZADIWYPHRKHAFC-QEQPGMSJSA-N
Inchi ID	InChI=1S/C26H22BrIN4O2/c1-14(31-32-25-8-6-16(28)12-29-25)15-5-7-22-19(9-15)17-3-2-4-18(17)26(30-22)20-10-23-24(11-21(20)27)34-13-33-23/h2-3,5-12,17-18,26,30H,4,13H2,1H3,(H,29,32)/b31-14+/t17-,18+,26-/m1/s1
PubChem CID	45486396
ChEMBL	CHEMBL585707
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
423532	G-protein coupled estrogen receptor 1	Q99527	GPER1	Homo sapiens (Human)	375

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