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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	CHEMBL1777968
Molecular formula	C28H36N4O5S
IUPAC name	2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
Molecular weight	540.679
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.1
Synonyms	SCHEMBL5012334 2-((R)-3-oxo-1-tosylpiperazin-2-yl)-N-((R)-7-(piperidin-1-ylmethyl)chroman-4-yl)acetamide BDBM50344110
Inchi Key	AYOLCKHKBYKEFR-JWQCQUIFSA-N
Inchi ID	InChI=1S/C28H36N4O5S/c1-20-5-8-22(9-6-20)38(35,36)32-15-12-29-28(34)25(32)18-27(33)30-24-11-16-37-26-17-21(7-10-23(24)26)19-31-13-3-2-4-14-31/h5-10,17,24-25H,2-4,11-16,18-19H2,1H3,(H,29,34)(H,30,33)/t24-,25-/m1/s1
PubChem CID	54583617
ChEMBL	CHEMBL1777968
IUPHAR	N/A
BindingDB	50344110
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
17629	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353

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