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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	CHEMBL523645
Molecular formula	C21H18F5N3O5
IUPAC name	3-[[3,4-dioxo-2-[[(1S)-2,2,3,3,3-pentafluoro-1-(5-methylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	487.383
Hydrogen bond acceptor	12
Hydrogen bond donor	3
XlogP	4.0
Synonyms	SCHEMBL12262976 (S)-3-(3,4-dioxo-2-(2,2,3,3,3-pentafluoro-1-(5-methylfuran-2-yl)propylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide BDBM50248456
Inchi Key	IACZVCYFISPAOZ-SFHVURJKSA-N
Inchi ID	InChI=1S/C21H18F5N3O5/c1-9-7-8-12(34-9)18(20(22,23)21(24,25)26)28-14-13(16(31)17(14)32)27-11-6-4-5-10(15(11)30)19(33)29(2)3/h4-8,18,27-28,30H,1-3H3/t18-/m0/s1
PubChem CID	44565052
ChEMBL	CHEMBL523645
IUPHAR	N/A
BindingDB	50248456
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

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
128299	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
128298	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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