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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	CHEMBL550945
Molecular formula	C21H23N3O4S
IUPAC name	3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N,5-trimethylbenzamide
Molecular weight	413.492
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.7
Synonyms	SCHEMBL12262876 (R)-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)cyclobut-1-enylamino)-2-hydroxy-N,N,5-trimethylbenzamide BDBM50297744
Inchi Key	FUPGNVXSBWHKCE-CYBMUJFWSA-N
Inchi ID	InChI=1S/C21H23N3O4S/c1-5-13(15-7-6-8-29-15)22-16-17(20(27)19(16)26)23-14-10-11(2)9-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
PubChem CID	45272064
ChEMBL	CHEMBL550945
IUPHAR	N/A
BindingDB	50297744
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
87628	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
87629	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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