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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	CHEMBL525092
Molecular formula	C30H34N4O5S
IUPAC name	2-[(2R)-1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[(4R)-7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
Molecular weight	562.685
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.9
Synonyms	N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-2-((R)-3-oxo-1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide BDBM50272454
Inchi Key	CHQXHFLJVYXJOZ-ZEQKJWHPSA-N
Inchi ID	InChI=1S/C30H34N4O5S/c1-30(2,3)31-19-20-13-14-22-23(15-16-39-27(22)17-20)32-28(35)18-26-29(36)33-24-11-7-8-12-25(24)34(26)40(37,38)21-9-5-4-6-10-21/h4-14,17,23,26,31H,15-16,18-19H2,1-3H3,(H,32,35)(H,33,36)/t23-,26-/m1/s1
PubChem CID	44587188
ChEMBL	CHEMBL525092
IUPHAR	N/A
BindingDB	50272454
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
42232	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353

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