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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	CHEMBL491487
Molecular formula	C22H24FN3O5
IUPAC name	3-[[2-[[(1S)-2-fluoro-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	429.448
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	3.2
Synonyms	BDBM50248455 SCHEMBL12087136 (S)-3-(2-(2-fluoro-2-methyl-1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi Key	DDMTYZBTPDHBMN-FQEVSTJZSA-N
Inchi ID	InChI=1S/C22H24FN3O5/c1-11-9-10-14(31-11)20(22(2,3)23)25-16-15(18(28)19(16)29)24-13-8-6-7-12(17(13)27)21(30)26(4)5/h6-10,20,24-25,27H,1-5H3/t20-/m0/s1
PubChem CID	44565051
ChEMBL	CHEMBL491487
IUPHAR	N/A
BindingDB	50248455
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
57208	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
57209	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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