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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	CHEMBL540840
Molecular formula	C28H25BrCl2N6O4
IUPAC name	(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]prop-2-enamide
Molecular weight	660.35
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.1
Synonyms	SCHEMBL8563222 3-(6-Acetylamino-pyridin-3-yl)-N-({[3-(3-bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-methyl-carbamoyl}-methyl)-acrylamide; Dihydrochloride CHEMBL1190430 SCHEMBL8563227 BDBM50067242
Inchi Key	HNPBECOALKXYLQ-YRNVUSSQSA-N
Inchi ID	InChI=1S/C28H25BrCl2N6O4/c1-16-27(29)37-12-4-5-22(28(37)34-16)41-15-19-20(30)8-9-21(26(19)31)36(3)25(40)14-33-24(39)11-7-18-6-10-23(32-13-18)35-17(2)38/h4-13H,14-15H2,1-3H3,(H,33,39)(H,32,35,38)/b11-7+
PubChem CID	10349737
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50067242
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
119548	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
119549	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372

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