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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	CHEMBL424268
Molecular formula	C31H32N6O4
IUPAC name	(E)-3-(6-acetamidopyridin-3-yl)-N-[2-oxo-2-[N,2,4-trimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]anilino]ethyl]prop-2-enamide
Molecular weight	552.635
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.0
Synonyms	(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide SCHEMBL8361793 BDBM50067300 SCHEMBL8361792
Inchi Key	FSZTYVUALDTBLQ-SDNWHVSQSA-N
Inchi ID	InChI=1S/C31H32N6O4/c1-19-9-12-26(21(3)24(19)18-41-27-8-6-7-25-31(27)35-20(2)15-32-25)37(5)30(40)17-34-29(39)14-11-23-10-13-28(33-16-23)36-22(4)38/h6-16H,17-18H2,1-5H3,(H,34,39)(H,33,36,38)/b14-11+
PubChem CID	10530740
ChEMBL	CHEMBL424268
IUPHAR	N/A
BindingDB	50067300
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
86536	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372
86537	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391

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