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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	CHEMBL562950
Molecular formula	C20H20BrN3O4S
IUPAC name	5-bromo-3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	478.361
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	4.0
Synonyms	SCHEMBL12262880 (R)-5-bromo-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide BDBM50297743
Inchi Key	FKOXURHFSVXVQQ-GFCCVEGCSA-N
Inchi ID	InChI=1S/C20H20BrN3O4S/c1-4-12(14-6-5-7-29-14)22-15-16(19(27)18(15)26)23-13-9-10(21)8-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
PubChem CID	45272873
ChEMBL	CHEMBL562950
IUPHAR	N/A
BindingDB	50297743
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
80699	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
80698	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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